1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane

C17H32 — CID 142348869

IUPAC1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane
SMILESCCC(C1CCC(C)CC1)C1CCC(C)CC1
InChIInChI=1S/C17H32/c1-4-17(15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h13-17H,4-12H2,1-3H3
InChIKeyQSNYPBVCMLNAGH-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.67
Rot. Bonds3

About 1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane

1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane (PubChem CID 142348869) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane
PubChem CID142348869
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane
SMILESCCC(C1CCC(C)CC1)C1CCC(C)CC1
InChIInChI=1S/C17H32/c1-4-17(15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h13-17H,4-12H2,1-3H3
InChIKeyQSNYPBVCMLNAGH-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butan-2-yl-4-methylcyclohexane
CID 20676481
1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane
CID 123280607
1-hexan-3-yl-4-methylcyclohexane;propane
CID 143181984
1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine
CID 20500744
3-(4-methylcyclohexyl)pentan-2-ol
CID 79422150
1,4-dimethylcyclohexane;3-methylpentane;propane
CID 91316763
heptane;1-methyl-4-propan-2-ylcyclohexane
CID 145172646
bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657
formic acid;1-methyl-4-pentan-3-ylcyclohexane
CID 144502603
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane
CID 123821196
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane?
The IUPAC name of 1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane (CID 142348869) is 1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane?
The canonical SMILES for 1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane is CCC(C1CCC(C)CC1)C1CCC(C)CC1.
What is the InChIKey of 1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane?
The InChIKey is QSNYPBVCMLNAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-4-17(15-9-5-13(2)6-10-15)16-11-7-14(3)8-12-16/h13-17H,4-12H2,1-3H3.
What are the key properties of 1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane?
1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane has a molecular weight of 236.44 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(4-methylcyclohexyl)propyl]cyclohexane is sourced from PubChem (CID 142348869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).