1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane

C28H52 — CID 91321679

IUPAC1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane
SMILESCC.CC.CC.CC1CCC(Cc2ccc(CC3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C22H34.3C2H6/c1-17-3-7-19(8-4-17)15-21-11-13-22(14-12-21)16-20-9-5-18(2)6-10-20;3*1-2/h11-14,17-20H,3-10,15-16H2,1-2H3;3*1-2H3
InChIKeyDGWRNXADCZEWAA-UHFFFAOYSA-N
MW388.72 g/mol
LogP9.50
Rot. Bonds4

About 1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane

1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane (PubChem CID 91321679) has the molecular formula C28H52 and a molecular weight of 388.72 g/mol. Its IUPAC name is 1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane.

Molecular Properties

Compound Name1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane
PubChem CID91321679
Molecular FormulaC28H52
Molecular Weight388.72 g/mol
Exact Mass388.41
IUPAC Name1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane
SMILESCC.CC.CC.CC1CCC(Cc2ccc(CC3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C22H34.3C2H6/c1-17-3-7-19(8-4-17)15-21-11-13-22(14-12-21)16-20-9-5-18(2)6-10-20;3*1-2/h11-14,17-20H,3-10,15-16H2,1-2H3;3*1-2H3
InChIKeyDGWRNXADCZEWAA-UHFFFAOYSA-N
XLogP9.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.72
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)benzene
CID 163396253
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene
CID 59265507
1-ethoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 134391078
trimethoxy-[4-[(4-methylcyclohexyl)methyl]phenyl]silane
CID 90891136
1-butoxy-4-[(4-methylcyclohexyl)methyl]benzene
CID 130438477
fluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene
CID 90971028
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669
N,N-dimethyl-1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenamine
CID 143553842
cyclopropylmethylbenzene;ethane;methane
CID 142248267
1-[(4-methylcyclohexyl)methyl]-4-[2-[4-[2-(4-methylcyclohexyl)propan-2-yl]phenyl]ethyl]benzene
CID 142147061
1-(4-methylcyclohexyl)-2-[4-[(4-methylcyclohexyl)methyl]phenyl]propan-1-one
CID 90124572
(2S)-2-methyl-6-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 143761484

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane?
The IUPAC name of 1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane (CID 91321679) is 1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane.
What is the SMILES notation for 1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane?
The canonical SMILES for 1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane is CC.CC.CC.CC1CCC(Cc2ccc(CC3CCC(C)CC3)cc2)CC1.
What is the InChIKey of 1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane?
The InChIKey is DGWRNXADCZEWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34.3C2H6/c1-17-3-7-19(8-4-17)15-21-11-13-22(14-12-21)16-20-9-5-18(2)6-10-20;3*1-2/h11-14,17-20H,3-10,15-16H2,1-2H3;3*1-2H3.
What are the key properties of 1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane?
1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane has a molecular weight of 388.72 g/mol, XLogP of 9.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane is sourced from PubChem (CID 91321679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).