5-methyl-2-propan-2-ylcyclohex-3-en-1-one

C10H16O — CID 573534

IUPAC5-methyl-2-propan-2-ylcyclohex-3-en-1-one
SMILESCC1C=CC(C(C)C)C(=O)C1
InChIInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-5,7-9H,6H2,1-3H3
InChIKeyGPUOMCZFJZZLJT-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.42
Rot. Bonds1

About 5-methyl-2-propan-2-ylcyclohex-3-en-1-one

5-methyl-2-propan-2-ylcyclohex-3-en-1-one (PubChem CID 573534) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-methyl-2-propan-2-ylcyclohex-3-en-1-one.

Molecular Properties

Compound Name5-methyl-2-propan-2-ylcyclohex-3-en-1-one
PubChem CID573534
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name5-methyl-2-propan-2-ylcyclohex-3-en-1-one
SMILESCC1C=CC(C(C)C)C(=O)C1
InChIInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-5,7-9H,6H2,1-3H3
InChIKeyGPUOMCZFJZZLJT-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
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 5-methyl-2-propan-2-ylcyclohex-3-en-1-one?
The IUPAC name of 5-methyl-2-propan-2-ylcyclohex-3-en-1-one (CID 573534) is 5-methyl-2-propan-2-ylcyclohex-3-en-1-one.
What is the SMILES notation for 5-methyl-2-propan-2-ylcyclohex-3-en-1-one?
The canonical SMILES for 5-methyl-2-propan-2-ylcyclohex-3-en-1-one is CC1C=CC(C(C)C)C(=O)C1.
What is the InChIKey of 5-methyl-2-propan-2-ylcyclohex-3-en-1-one?
The InChIKey is GPUOMCZFJZZLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-ylcyclohex-3-en-1-one?
5-methyl-2-propan-2-ylcyclohex-3-en-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-ylcyclohex-3-en-1-one is sourced from PubChem (CID 573534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).