3-methylcyclohexan-1-one;2-methylcyclopentan-1-one

C13H22O2 — CID 69228186

IUPAC3-methylcyclohexan-1-one;2-methylcyclopentan-1-one
SMILESCC1CCCC(=O)C1.CC1CCCC1=O
InChIInChI=1S/C7H12O.C6H10O/c1-6-3-2-4-7(8)5-6;1-5-3-2-4-6(5)7/h6H,2-5H2,1H3;5H,2-4H2,1H3
InChIKeyVKFSNHAROVUJKM-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.14
Rot. Bonds

About 3-methylcyclohexan-1-one;2-methylcyclopentan-1-one

3-methylcyclohexan-1-one;2-methylcyclopentan-1-one (PubChem CID 69228186) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-methylcyclohexan-1-one;2-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-methylcyclohexan-1-one;2-methylcyclopentan-1-one
PubChem CID69228186
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-methylcyclohexan-1-one;2-methylcyclopentan-1-one
SMILESCC1CCCC(=O)C1.CC1CCCC1=O
InChIInChI=1S/C7H12O.C6H10O/c1-6-3-2-4-7(8)5-6;1-5-3-2-4-6(5)7/h6H,2-5H2,1H3;5H,2-4H2,1H3
InChIKeyVKFSNHAROVUJKM-UHFFFAOYSA-N
XLogP3.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylcyclohexan-1-one;2-methylcyclopentan-1-one?
The IUPAC name of 3-methylcyclohexan-1-one;2-methylcyclopentan-1-one (CID 69228186) is 3-methylcyclohexan-1-one;2-methylcyclopentan-1-one.
What is the SMILES notation for 3-methylcyclohexan-1-one;2-methylcyclopentan-1-one?
The canonical SMILES for 3-methylcyclohexan-1-one;2-methylcyclopentan-1-one is CC1CCCC(=O)C1.CC1CCCC1=O.
What is the InChIKey of 3-methylcyclohexan-1-one;2-methylcyclopentan-1-one?
The InChIKey is VKFSNHAROVUJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.C6H10O/c1-6-3-2-4-7(8)5-6;1-5-3-2-4-6(5)7/h6H,2-5H2,1H3;5H,2-4H2,1H3.
What are the key properties of 3-methylcyclohexan-1-one;2-methylcyclopentan-1-one?
3-methylcyclohexan-1-one;2-methylcyclopentan-1-one has a molecular weight of 210.32 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclohexan-1-one;2-methylcyclopentan-1-one is sourced from PubChem (CID 69228186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).