2-methylidene-5-propan-2-ylcyclohexan-1-one

C10H16O — CID 557612

IUPAC2-methylidene-5-propan-2-ylcyclohexan-1-one
SMILESC=C1CCC(C(C)C)CC1=O
InChIInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h7,9H,3-6H2,1-2H3
InChIKeyQIHBCMQXRORFNY-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds1

About 2-methylidene-5-propan-2-ylcyclohexan-1-one

2-methylidene-5-propan-2-ylcyclohexan-1-one (PubChem CID 557612) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methylidene-5-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-methylidene-5-propan-2-ylcyclohexan-1-one
PubChem CID557612
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-methylidene-5-propan-2-ylcyclohexan-1-one
SMILESC=C1CCC(C(C)C)CC1=O
InChIInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h7,9H,3-6H2,1-2H3
InChIKeyQIHBCMQXRORFNY-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-methylidene-5-propan-2-ylcyclohexan-1-one (CID 557612) is 2-methylidene-5-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-methylidene-5-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-methylidene-5-propan-2-ylcyclohexan-1-one is C=C1CCC(C(C)C)CC1=O.
What is the InChIKey of 2-methylidene-5-propan-2-ylcyclohexan-1-one?
The InChIKey is QIHBCMQXRORFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-methylidene-5-propan-2-ylcyclohexan-1-one?
2-methylidene-5-propan-2-ylcyclohexan-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 557612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).