2-methyl-6-prop-2-enylcyclohexan-1-one

C10H16O — CID 12619395

IUPAC2-methyl-6-prop-2-enylcyclohexan-1-one
SMILESC=CCC1CCCC(C)C1=O
InChIInChI=1S/C10H16O/c1-3-5-9-7-4-6-8(2)10(9)11/h3,8-9H,1,4-7H2,2H3
InChIKeyAGKHZTYZZUCRAM-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds2

About 2-methyl-6-prop-2-enylcyclohexan-1-one

2-methyl-6-prop-2-enylcyclohexan-1-one (PubChem CID 12619395) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-6-prop-2-enylcyclohexan-1-one.

Molecular Properties

Compound Name2-methyl-6-prop-2-enylcyclohexan-1-one
PubChem CID12619395
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-methyl-6-prop-2-enylcyclohexan-1-one
SMILESC=CCC1CCCC(C)C1=O
InChIInChI=1S/C10H16O/c1-3-5-9-7-4-6-8(2)10(9)11/h3,8-9H,1,4-7H2,2H3
InChIKeyAGKHZTYZZUCRAM-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-prop-2-enylcyclohexan-1-one?
The IUPAC name of 2-methyl-6-prop-2-enylcyclohexan-1-one (CID 12619395) is 2-methyl-6-prop-2-enylcyclohexan-1-one.
What is the SMILES notation for 2-methyl-6-prop-2-enylcyclohexan-1-one?
The canonical SMILES for 2-methyl-6-prop-2-enylcyclohexan-1-one is C=CCC1CCCC(C)C1=O.
What is the InChIKey of 2-methyl-6-prop-2-enylcyclohexan-1-one?
The InChIKey is AGKHZTYZZUCRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-5-9-7-4-6-8(2)10(9)11/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 2-methyl-6-prop-2-enylcyclohexan-1-one?
2-methyl-6-prop-2-enylcyclohexan-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-prop-2-enylcyclohexan-1-one is sourced from PubChem (CID 12619395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).