3-cyclohexyl-3-methylcyclopentan-1-one

C12H20O — CID 116538592

IUPAC3-cyclohexyl-3-methylcyclopentan-1-one
SMILESCC1(C2CCCCC2)CCC(=O)C1
InChIInChI=1S/C12H20O/c1-12(8-7-11(13)9-12)10-5-3-2-4-6-10/h10H,2-9H2,1H3
InChIKeyGAQQJRDZWXUEKY-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.33
Rot. Bonds1

About 3-cyclohexyl-3-methylcyclopentan-1-one

3-cyclohexyl-3-methylcyclopentan-1-one (PubChem CID 116538592) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-cyclohexyl-3-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-3-methylcyclopentan-1-one
PubChem CID116538592
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name3-cyclohexyl-3-methylcyclopentan-1-one
SMILESCC1(C2CCCCC2)CCC(=O)C1
InChIInChI=1S/C12H20O/c1-12(8-7-11(13)9-12)10-5-3-2-4-6-10/h10H,2-9H2,1H3
InChIKeyGAQQJRDZWXUEKY-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-methylcyclopentan-1-one?
The IUPAC name of 3-cyclohexyl-3-methylcyclopentan-1-one (CID 116538592) is 3-cyclohexyl-3-methylcyclopentan-1-one.
What is the SMILES notation for 3-cyclohexyl-3-methylcyclopentan-1-one?
The canonical SMILES for 3-cyclohexyl-3-methylcyclopentan-1-one is CC1(C2CCCCC2)CCC(=O)C1.
What is the InChIKey of 3-cyclohexyl-3-methylcyclopentan-1-one?
The InChIKey is GAQQJRDZWXUEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-12(8-7-11(13)9-12)10-5-3-2-4-6-10/h10H,2-9H2,1H3.
What are the key properties of 3-cyclohexyl-3-methylcyclopentan-1-one?
3-cyclohexyl-3-methylcyclopentan-1-one has a molecular weight of 180.29 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-methylcyclopentan-1-one is sourced from PubChem (CID 116538592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).