1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane

C25H52 — CID 142912938

IUPAC1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane
SMILESCC.CC.CC1CCC(CC2CCCCC2)CC1.CC1CCCCC1
InChIInChI=1S/C14H26.C7H14.2C2H6/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;1-7-5-3-2-4-6-7;2*1-2/h12-14H,2-11H2,1H3;7H,2-6H2,1H3;2*1-2H3
InChIKeyWXVQATIAXXNLSK-UHFFFAOYSA-N
MW352.69 g/mol
LogP9.42
Rot. Bonds2

About 1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane

1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane (PubChem CID 142912938) has the molecular formula C25H52 and a molecular weight of 352.69 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane
PubChem CID142912938
Molecular FormulaC25H52
Molecular Weight352.69 g/mol
Exact Mass352.41
IUPAC Name1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane
SMILESCC.CC.CC1CCC(CC2CCCCC2)CC1.CC1CCCCC1
InChIInChI=1S/C14H26.C7H14.2C2H6/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;1-7-5-3-2-4-6-7;2*1-2/h12-14H,2-11H2,1H3;7H,2-6H2,1H3;2*1-2H3
InChIKeyWXVQATIAXXNLSK-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.69
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 143714212
1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 159873536
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
[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
CID 140856779
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
cyclopentadecylmethylcyclopentadecane
CID 91804599
4-ethyl-1,7-dimethylcyclododecane
CID 123234850
1-ethyl-4-methylcyclooctane;methane
CID 159989571
ethane;methane;methylcyclohexane;methylcyclopentane
CID 158993326
ethane;methylcyclohexane;sulfane
CID 145330244
ethane;methylcyclohexane;dihydrate
CID 144526565

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane?
The IUPAC name of 1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane (CID 142912938) is 1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane?
The canonical SMILES for 1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane is CC.CC.CC1CCC(CC2CCCCC2)CC1.CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane?
The InChIKey is WXVQATIAXXNLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26.C7H14.2C2H6/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;1-7-5-3-2-4-6-7;2*1-2/h12-14H,2-11H2,1H3;7H,2-6H2,1H3;2*1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane?
1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane has a molecular weight of 352.69 g/mol, XLogP of 9.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane is sourced from PubChem (CID 142912938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).