4-methyl-4-propan-2-ylcyclohex-2-en-1-one

C10H16O — CID 71303376

IUPAC4-methyl-4-propan-2-ylcyclohex-2-en-1-one
SMILESCC(C)C1(C)C=CC(=O)CC1
InChIInChI=1S/C10H16O/c1-8(2)10(3)6-4-9(11)5-7-10/h4,6,8H,5,7H2,1-3H3
InChIKeySTGXLFIAOJACAV-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds1

About 4-methyl-4-propan-2-ylcyclohex-2-en-1-one

4-methyl-4-propan-2-ylcyclohex-2-en-1-one (PubChem CID 71303376) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-methyl-4-propan-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-methyl-4-propan-2-ylcyclohex-2-en-1-one
PubChem CID71303376
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4-methyl-4-propan-2-ylcyclohex-2-en-1-one
SMILESCC(C)C1(C)C=CC(=O)CC1
InChIInChI=1S/C10H16O/c1-8(2)10(3)6-4-9(11)5-7-10/h4,6,8H,5,7H2,1-3H3
InChIKeySTGXLFIAOJACAV-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

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Related Compounds

4,4-dimethoxycyclohex-2-en-1-one
CID 134922373
4-(1,3-dioxolan-2-yl)-4-methylcyclohex-2-en-1-one
CID 14068876
5,5-dimethylcyclohept-2-en-1-one
CID 14809655
4,4-dicyclopropylcyclohex-2-en-1-one
CID 130029054
2,2-dimethyl-3,4-dihydro-1H-azepin-5-one
CID 55288417
4,4-dibutylcyclohex-2-en-1-one
CID 14836303
4-methyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-one
CID 14939497
10-(2-methylpropoxy)spiro[5.5]undeca-4,9-diene-3,11-dione
CID 71393323
2-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene
CID 129146561
(4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one
CID 14395464
4,4-bis(3-methylphenyl)cyclohex-2-en-1-one
CID 54188104
methyl 2-methyl-4-oxo-1-propan-2-ylcyclohex-2-ene-1-carboxylate
CID 131859536

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-propan-2-ylcyclohex-2-en-1-one?
The IUPAC name of 4-methyl-4-propan-2-ylcyclohex-2-en-1-one (CID 71303376) is 4-methyl-4-propan-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 4-methyl-4-propan-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 4-methyl-4-propan-2-ylcyclohex-2-en-1-one is CC(C)C1(C)C=CC(=O)CC1.
What is the InChIKey of 4-methyl-4-propan-2-ylcyclohex-2-en-1-one?
The InChIKey is STGXLFIAOJACAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)10(3)6-4-9(11)5-7-10/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 4-methyl-4-propan-2-ylcyclohex-2-en-1-one?
4-methyl-4-propan-2-ylcyclohex-2-en-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 4-methyl-4-propan-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 71303376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).