1-methylspiro[4.5]deca-7,9-dien-4-one

C11H14O — CID 11449487

IUPAC1-methylspiro[4.5]deca-7,9-dien-4-one
SMILESCC1CCC(=O)C12C=CC=CC2
InChIInChI=1S/C11H14O/c1-9-5-6-10(12)11(9)7-3-2-4-8-11/h2-4,7,9H,5-6,8H2,1H3
InChIKeyVFJREIWTLMLWDE-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.49
Rot. Bonds

About 1-methylspiro[4.5]deca-7,9-dien-4-one

1-methylspiro[4.5]deca-7,9-dien-4-one (PubChem CID 11449487) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-methylspiro[4.5]deca-7,9-dien-4-one.

Molecular Properties

Compound Name1-methylspiro[4.5]deca-7,9-dien-4-one
PubChem CID11449487
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name1-methylspiro[4.5]deca-7,9-dien-4-one
SMILESCC1CCC(=O)C12C=CC=CC2
InChIInChI=1S/C11H14O/c1-9-5-6-10(12)11(9)7-3-2-4-8-11/h2-4,7,9H,5-6,8H2,1H3
InChIKeyVFJREIWTLMLWDE-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,8-dimethylspiro[4.5]dec-8-en-4-one
CID 10997609
2,3-dimethyl-2-methylsulfanylcyclopentan-1-one
CID 12861275
4,4a-dimethyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one
CID 130036798
cyclohexa-2,4-diene-1,1-diamine;methanamine
CID 174570033
(5R,6S,9R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-one
CID 11390393
2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one
CID 130028580
3-methylspiro[4.5]deca-7,9-diene
CID 90829318
(11Z,13Z)-3,3,4-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
CID 140874675
8a-methyl-2,3,3a,4,5,8-hexahydroazulen-1-one
CID 85377373
trans-methyl (1R,2S)-1,2-dimethyl-5-oxocyclopentane-1-carboxylate
CID 11116480
spiro[4.5]deca-1,3,7,9-tetraene
CID 59741992
CID 163995556
CID 163995556

Frequently Asked Questions

What is the IUPAC name of 1-methylspiro[4.5]deca-7,9-dien-4-one?
The IUPAC name of 1-methylspiro[4.5]deca-7,9-dien-4-one (CID 11449487) is 1-methylspiro[4.5]deca-7,9-dien-4-one.
What is the SMILES notation for 1-methylspiro[4.5]deca-7,9-dien-4-one?
The canonical SMILES for 1-methylspiro[4.5]deca-7,9-dien-4-one is CC1CCC(=O)C12C=CC=CC2.
What is the InChIKey of 1-methylspiro[4.5]deca-7,9-dien-4-one?
The InChIKey is VFJREIWTLMLWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-9-5-6-10(12)11(9)7-3-2-4-8-11/h2-4,7,9H,5-6,8H2,1H3.
What are the key properties of 1-methylspiro[4.5]deca-7,9-dien-4-one?
1-methylspiro[4.5]deca-7,9-dien-4-one has a molecular weight of 162.23 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylspiro[4.5]deca-7,9-dien-4-one is sourced from PubChem (CID 11449487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).