(4-methylcyclohexyl)-(2-methylcyclopentyl)methanone

C14H24O — CID 107187037

IUPAC(4-methylcyclohexyl)-(2-methylcyclopentyl)methanone
SMILESCC1CCC(C(=O)C2CCCC2C)CC1
InChIInChI=1S/C14H24O/c1-10-6-8-12(9-7-10)14(15)13-5-3-4-11(13)2/h10-13H,3-9H2,1-2H3
InChIKeyRRBULOVMJFIABS-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.82
Rot. Bonds2

About (4-methylcyclohexyl)-(2-methylcyclopentyl)methanone

(4-methylcyclohexyl)-(2-methylcyclopentyl)methanone (PubChem CID 107187037) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (4-methylcyclohexyl)-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-(2-methylcyclopentyl)methanone
PubChem CID107187037
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(4-methylcyclohexyl)-(2-methylcyclopentyl)methanone
SMILESCC1CCC(C(=O)C2CCCC2C)CC1
InChIInChI=1S/C14H24O/c1-10-6-8-12(9-7-10)14(15)13-5-3-4-11(13)2/h10-13H,3-9H2,1-2H3
InChIKeyRRBULOVMJFIABS-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-(2-methylcyclopentyl)methanone?
The IUPAC name of (4-methylcyclohexyl)-(2-methylcyclopentyl)methanone (CID 107187037) is (4-methylcyclohexyl)-(2-methylcyclopentyl)methanone.
What is the SMILES notation for (4-methylcyclohexyl)-(2-methylcyclopentyl)methanone?
The canonical SMILES for (4-methylcyclohexyl)-(2-methylcyclopentyl)methanone is CC1CCC(C(=O)C2CCCC2C)CC1.
What is the InChIKey of (4-methylcyclohexyl)-(2-methylcyclopentyl)methanone?
The InChIKey is RRBULOVMJFIABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-10-6-8-12(9-7-10)14(15)13-5-3-4-11(13)2/h10-13H,3-9H2,1-2H3.
What are the key properties of (4-methylcyclohexyl)-(2-methylcyclopentyl)methanone?
(4-methylcyclohexyl)-(2-methylcyclopentyl)methanone has a molecular weight of 208.34 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107187037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).