AG004WA5

84868-02-0 | 4-Pentyldicyclohexylanone

AG004WA5

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CAS Number	84868-02-0
Catalog Number	AG004WA5(AGN-PC-0UUVNT)
Chemical Name	4-Pentyldicyclohexylanone
EC Number	617-638-6
IUPAC Name	4-(4-pentylcyclohexyl)cyclohexan-1-one
InChI	InChI=1S/C17H30O/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h14-16H,2-13H2,1H3
InChI Key	OZLFNAZSDVXEFU-UHFFFAOYSA-N
MDL Number	MFCD04038798
Molecular Formula	C17H30O
Molecular Weight	250.4195
SMILES	O=C1CCC([C@H]2CC[C@H](CCCCC)CC2)CC1
Synonyms	84868-02-0, 4-(trans-4-Pentylcyclohexyl)cyclohexanone, 4-Pentyldicyclohexylanone, 87625-10-3, 4'-Pentyl-[1,1'-bi(cyclohexan)]-4-one, 4-(trans-4'-n-Pentylcyclohexyl)cyclohexanone, 4-(trans-4'-pentylcyclohexyl)cyclohexanone, 4-(4-pentylcyclohexyl)cyclohexanone, 4-(4-pentylcyclohexyl)cyclohexan-1-one, 4'-Pentylbi(cyclohexyl)-4-one, PubChem2511, PubChem9649, 4'-pentyl-[1,1'-Bicyclohexyl]-4-one, KSC914G4D, SCHEMBL1255189, SCHEMBL6910065, CTK8B4341, OZLFNAZSDVXEFU-SHTZXODSSA-N, OZLFNAZSDVXEFU-UHFFFAOYSA-N, KS-00000NT8, ZINC2525465, ANW-44736, KM2238, MFCD04038798, SBB059442, AKOS015916242, AKOS015964139, ZINC100019070, ZINC245219473, MCULE-7313747710, RP28910, RTR-026233, VZ35304, [4'-Pentyl-1,1'-bicyclohexyl]-4-one, AJ-37440, AK-46248, AN-35796, DS-13784, 4-(trans-4-pentylcyclohexyl)-cyclohexanone, ST2405488, FT-0655158, ST51044436, TRANS-4'-PENTYLBI(CYCLOHEXAN)-4-ONE, 4-((1s,4r)-4-pentylcyclohexyl)cyclohexanone, 4-(Trans-4&#39-pentylcyclohexyl)cyclohexanone, 4-(trans-4\'-n-Pentylcyclohexyl)cyclohexanone, 4'-PENTYL-1,1'-BI(CYCLOHEXYL)-4-ONE, 625P103, 868P020, I14-4988, J-513880, 4-(4alpha-Pentylcyclohexane-1beta-yl)-1-cyclohexanone, CB10537, CID11357162, A10180,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.23g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.426g/mol
Monoisotopic Mass	250.23g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.8

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

Lot Number