10-methyl-3-propan-2-ylspiro[4.5]deca-3,9-dien-8-one

C14H20O — CID 129090920

IUPAC10-methyl-3-propan-2-ylspiro[4.5]deca-3,9-dien-8-one
SMILESCC1=CC(=O)CCC12C=C(C(C)C)CC2
InChIInChI=1S/C14H20O/c1-10(2)12-4-6-14(9-12)7-5-13(15)8-11(14)3/h8-10H,4-7H2,1-3H3
InChIKeyHOQZHXYDLFFFPY-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.66
Rot. Bonds1

About 10-methyl-3-propan-2-ylspiro[4.5]deca-3,9-dien-8-one

10-methyl-3-propan-2-ylspiro[4.5]deca-3,9-dien-8-one (PubChem CID 129090920) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 10-methyl-3-propan-2-ylspiro[4.5]deca-3,9-dien-8-one.

Molecular Properties

Compound Name10-methyl-3-propan-2-ylspiro[4.5]deca-3,9-dien-8-one
PubChem CID129090920
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name10-methyl-3-propan-2-ylspiro[4.5]deca-3,9-dien-8-one
SMILESCC1=CC(=O)CCC12C=C(C(C)C)CC2
InChIInChI=1S/C14H20O/c1-10(2)12-4-6-14(9-12)7-5-13(15)8-11(14)3/h8-10H,4-7H2,1-3H3
InChIKeyHOQZHXYDLFFFPY-UHFFFAOYSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 10-methyl-3-propan-2-ylspiro[4.5]deca-3,9-dien-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-10-methylidene-3-propan-2-ylspiro[4.5]deca-3,6-dien-8-one
CID 129091087
4,4-difluoro-3-methylcyclohex-2-en-1-one
CID 170721056
methyl 2-methyl-4-oxo-1-propan-2-ylcyclohex-2-ene-1-carboxylate
CID 131859536
7-propan-2-ylspiro[3.4]octa-2,7-diene
CID 123347624
(4aS)-3-hydroxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one
CID 132544552
2-[(1S)-1-methyl-3-propan-2-ylcyclopent-2-en-1-yl]acetaldehyde
CID 11263703
4-butyl-4-methoxy-3-methylcyclohex-2-en-1-one
CID 134987218
3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one
CID 131160367
(5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]deca-3,6-diene
CID 15860318
(1S,7aS)-7a-methyl-1-propan-2-yl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 101484250
3-hydroxy-4,4-dimethylcyclohex-2-en-1-one
CID 13297859
3-methylcyclopent-2-en-1-one
CID 162114643

Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-propan-2-ylspiro[4.5]deca-3,9-dien-8-one?
The IUPAC name of 10-methyl-3-propan-2-ylspiro[4.5]deca-3,9-dien-8-one (CID 129090920) is 10-methyl-3-propan-2-ylspiro[4.5]deca-3,9-dien-8-one.
What is the SMILES notation for 10-methyl-3-propan-2-ylspiro[4.5]deca-3,9-dien-8-one?
The canonical SMILES for 10-methyl-3-propan-2-ylspiro[4.5]deca-3,9-dien-8-one is CC1=CC(=O)CCC12C=C(C(C)C)CC2.
What is the InChIKey of 10-methyl-3-propan-2-ylspiro[4.5]deca-3,9-dien-8-one?
The InChIKey is HOQZHXYDLFFFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-10(2)12-4-6-14(9-12)7-5-13(15)8-11(14)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 10-methyl-3-propan-2-ylspiro[4.5]deca-3,9-dien-8-one?
10-methyl-3-propan-2-ylspiro[4.5]deca-3,9-dien-8-one has a molecular weight of 204.31 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-propan-2-ylspiro[4.5]deca-3,9-dien-8-one is sourced from PubChem (CID 129090920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).