ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane

C23H52 — CID 143714212

IUPACethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
SMILESCC.CC.CC.CC.CC1CCC(CC2CCC(C)CC2)CC1
InChIInChI=1S/C15H28.4C2H6/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;4*1-2/h12-15H,3-11H2,1-2H3;4*1-2H3
InChIKeyDRTKRVFJZWVXGH-UHFFFAOYSA-N
MW328.67 g/mol
LogP9.13
Rot. Bonds2

About ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane

ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane (PubChem CID 143714212) has the molecular formula C23H52 and a molecular weight of 328.67 g/mol. Its IUPAC name is ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane.

Molecular Properties

Compound Nameethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
PubChem CID143714212
Molecular FormulaC23H52
Molecular Weight328.67 g/mol
Exact Mass328.41
IUPAC Nameethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
SMILESCC.CC.CC.CC.CC1CCC(CC2CCC(C)CC2)CC1
InChIInChI=1S/C15H28.4C2H6/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;4*1-2/h12-15H,3-11H2,1-2H3;4*1-2H3
InChIKeyDRTKRVFJZWVXGH-UHFFFAOYSA-N
XLogP9.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.67
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane 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

methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 161317011
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 158911211
1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane
CID 142912938
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane
CID 160789108
1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane
CID 130469055
1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 159873536
1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane
CID 147298392
2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol
CID 59931224
1,1-difluoro-2-methyl-5-[(4-methylcyclohexyl)methyl]cyclohexane
CID 130261235
6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane
CID 167617145
(4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione
CID 59938766
4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 88960002

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane?
The IUPAC name of ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane (CID 143714212) is ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane.
What is the SMILES notation for ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane?
The canonical SMILES for ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane is CC.CC.CC.CC.CC1CCC(CC2CCC(C)CC2)CC1.
What is the InChIKey of ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane?
The InChIKey is DRTKRVFJZWVXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28.4C2H6/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;4*1-2/h12-15H,3-11H2,1-2H3;4*1-2H3.
What are the key properties of ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane?
ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane has a molecular weight of 328.67 g/mol, XLogP of 9.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane is sourced from PubChem (CID 143714212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).