AG00398L

97398-80-6 | 1,1'-Bicyclohexyl, 4-methoxy-4'-propyl-, (trans,trans)-

AG00398L

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CAS Number	97398-80-6
Catalog Number	AG00398L(AGN-PC-0W70Z5)
Chemical Name	1,1'-Bicyclohexyl, 4-methoxy-4'-propyl-, (trans,trans)-
EC Number	619-269-6
IUPAC Name	1-methoxy-4-(4-propylcyclohexyl)cyclohexane
InChI	InChI=1S/C16H30O/c1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15/h13-16H,3-12H2,1-2H3
InChI Key	JMOYCPSDEMHCFG-UHFFFAOYSA-N
MDL Number	MFCD12761281
Molecular Formula	C16H30O
Molecular Weight	238.4088
SMILES	CCC[C@H]1CC[C@H]([C@H]2CC[C@H](OC)CC2)CC1
Synonyms	97398-80-6, 1-methoxy-4-(4-propylcyclohexyl)cyclohexane, trans,trans-4-Propyl-4'-methoxybicyclohexyl, (Trans,trans)-4-methoxy-4'-propyl-1,1'-bi(cyclohexane), 1,1'-Bicyclohexyl, 4-methoxy-4'-propyl-, (trans,trans)-, 1,1'-Bicyclohexyl, 4-methoxy-4'-propyl-, 4-Methoxy-4'-propyl-1,1'-bicyclohexane, AC1LBF42, SCHEMBL4819484, SCHEMBL5344425, SCHEMBL8213162, SCHEMBL8678273, SCHEMBL9351543, trans,trans-4-methoxy-4'-n-propyl-1,1'-bicyclohexyl, SCHEMBL10341188, CTK6D4818, DTXSID70339536, JMOYCPSDEMHCFG-UHFFFAOYSA-N, MFCD12761281, ZINC32225528, AKOS015918091, AKOS030228747, AKOS030524128, ZINC263584079, ZINC328996726, DS-3250, VZ33895, KS-000002C0, AK550835, AN-34776, CS-0059658, FT-0735553, trans,trans-4-propyl-4''-methoxy-bicyclohexyl, 398B806, I14-9196, trans,trans-4-Methoxy-4-n-propyl-1,1-bicyclohexyl, (trans,trans)-4-Methoxy-4'-propyl-1,1'-bicyclohexyl, TRANS,TRANS-4'-METHOXY-4-PROPYL-BICYCLOHEXYL, 4beta-Methoxy-4'beta-propyl-1alpha,1'alpha-bicyclohexane, CID556851, trans,trans-4-Propyl-4'-methoxy-bicyclohexyl, (+/-)-5-[4-[(6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)methoxy]benzyl]-2,4-thiazolidinedione,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.23g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.415g/mol
Monoisotopic Mass	238.23g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number