1-(5-methylcyclohexen-1-yl)propan-1-one

C10H16O — CID 130029995

IUPAC1-(5-methylcyclohexen-1-yl)propan-1-one
SMILESCCC(=O)C1=CCCC(C)C1
InChIInChI=1S/C10H16O/c1-3-10(11)9-6-4-5-8(2)7-9/h6,8H,3-5,7H2,1-2H3
InChIKeyNFQXBHFSSPZORF-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds2

About 1-(5-methylcyclohexen-1-yl)propan-1-one

1-(5-methylcyclohexen-1-yl)propan-1-one (PubChem CID 130029995) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(5-methylcyclohexen-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-methylcyclohexen-1-yl)propan-1-one
PubChem CID130029995
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-(5-methylcyclohexen-1-yl)propan-1-one
SMILESCCC(=O)C1=CCCC(C)C1
InChIInChI=1S/C10H16O/c1-3-10(11)9-6-4-5-8(2)7-9/h6,8H,3-5,7H2,1-2H3
InChIKeyNFQXBHFSSPZORF-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylcyclohexen-1-yl)propan-1-one?
The IUPAC name of 1-(5-methylcyclohexen-1-yl)propan-1-one (CID 130029995) is 1-(5-methylcyclohexen-1-yl)propan-1-one.
What is the SMILES notation for 1-(5-methylcyclohexen-1-yl)propan-1-one?
The canonical SMILES for 1-(5-methylcyclohexen-1-yl)propan-1-one is CCC(=O)C1=CCCC(C)C1.
What is the InChIKey of 1-(5-methylcyclohexen-1-yl)propan-1-one?
The InChIKey is NFQXBHFSSPZORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-10(11)9-6-4-5-8(2)7-9/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 1-(5-methylcyclohexen-1-yl)propan-1-one?
1-(5-methylcyclohexen-1-yl)propan-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylcyclohexen-1-yl)propan-1-one is sourced from PubChem (CID 130029995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).