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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

P-Cymene
CID 7463
Pentylbenzene
CID 10864
4-tert-Butyltoluene
CID 7390
1,4-Diethylbenzene
CID 7734
Isobutylbenzene
CID 10870
p-Terphenyl
CID 7115
4-Methylbiphenyl
CID 12566
p-alpha-Dimethyl styrene
CID 62385
Hexylbenzene
CID 14109
Curcumene
CID 92139
Pentadecylbenzene
CID 16476
Dodecylbenzene
CID 31237

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).