AG00IJFX

95756-62-0 | (trans,trans)-4-Ethoxy-4'-propyl-1,1'-bicyclohexyl

AG00IJFX

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CAS Number	95756-62-0
Catalog Number	AG00IJFX(AGN-PC-0W5D7F)
Chemical Name	(trans,trans)-4-Ethoxy-4'-propyl-1,1'-bicyclohexyl
EC Number	619-170-8
IUPAC Name	1-ethoxy-4-(4-propylcyclohexyl)cyclohexane
InChI	InChI=1S/C17H32O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h14-17H,3-13H2,1-2H3
InChI Key	WFNGXXFOYRNZIV-UHFFFAOYSA-N
MDL Number	MFCD22421614
Molecular Formula	C17H32O
Molecular Weight	252.4354
SMILES	CCC[C@H]1CC[C@H]([C@@H]2CC[C@@H](OCC)CC2)CC1
Synonyms	95756-62-0, (1r,1's,4R,4'R)-4-Ethoxy-4'-propyl-1,1'-bi(cyclohexane), (trans,trans)-4-Ethoxy-4'-propyl-1,1'-bi(cyclohexane), 4'-Ethoxy-4-propyl-bicyclohexyl, AK-90129, BAS 00451609, AC1LBJP2, trans,trans-4'-Propyl-4-ethoxy-bicyclohexyl, SCHEMBL7910493, SCHEMBL8412407, SCHEMBL10005513, SCHEMBL10705734, SCHEMBL17754353, CTK8D1320, DTXSID20339844, WFNGXXFOYRNZIV-UHFFFAOYSA-N, ZINC3066196, 6546AC, MFCD11053447, AKOS000618727, AKOS015918043, AKOS015999227, AKOS024463510, ZINC100006159, ZINC242701485, ZINC263584545, 4-Ethoxy-4'-propyl-1,1'-bicyclohexane, AJ-44387, DS-16799, 1,1'-Bicyclohexyl, 4-ethoxy-4'-propyl-, 1-ethoxy-4-(4-propylcyclohexyl)cyclohexane, 4-Ethoxy-4'-propyl-1,1'-bi(cyclohexane), trans,trans-4-ethoxy-4'-propylbicyclohexyl, CS-0061435, FT-0711129, ST24026071, trans,trans-4'-Ethoxy-4-propyl-bicyclohexyl, trans,trans-4''-propyl-4-ethoxy-bicyclohexyl, I14-9192, trans-4-Ethoxy-trans-4-propyl-[1,1-bicyclohexyl], (trans,trans)-4-ethoxy-4'-propyl-1,1'-bicyclohexyl, trans-4-ethoxy-trans-4'-propyl-[1,1'-bicyclohexyl], 1,1'-Bicyclohexyl, 4-ethoxy-4'-propyl-, (trans,trans)-, 1,1'-BINAPHTHYL, C17H32O, CID559130,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.245g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	252.442g/mol
Monoisotopic Mass	252.245g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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