9-methyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione

C10H10O3 — CID 130031435

IUPAC9-methyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione
SMILESCC1=CC2(CCC(=O)O2)C(=O)C=C1
InChIInChI=1S/C10H10O3/c1-7-2-3-8(11)10(6-7)5-4-9(12)13-10/h2-3,6H,4-5H2,1H3
InChIKeyNOOVAKRRTDETKP-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.15
Rot. Bonds

About 9-methyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione

9-methyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione (PubChem CID 130031435) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 9-methyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione.

Molecular Properties

Compound Name9-methyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione
PubChem CID130031435
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name9-methyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione
SMILESCC1=CC2(CCC(=O)O2)C(=O)C=C1
InChIInChI=1S/C10H10O3/c1-7-2-3-8(11)10(6-7)5-4-9(12)13-10/h2-3,6H,4-5H2,1H3
InChIKeyNOOVAKRRTDETKP-UHFFFAOYSA-N
XLogP1.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-9-bromo-10-fluoro-7-methyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione
CID 72374566
(5S)-7,9-ditert-butyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione
CID 102100747
(3aS,7aS)-3a,7,7a-trimethyl-3-methylidene-4H-1-benzofuran-2,5-dione
CID 102452528
(5S)-10-methyl-7-propan-2-yl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione
CID 117997197
(3aS,7aS)-7a-methyl-3-methylidene-3a,4-dihydro-1-benzofuran-2,5-dione
CID 101953821
(5S)-9-bromo-8-propan-2-yl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione
CID 102100749
(3aS,7aS)-7a-ethyl-3-methylidene-3a,4-dihydro-1-benzofuran-2,5-dione
CID 102202945
(5S)-7,8,10-trimethyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione
CID 125477059
2-Methyl-6-allyl-2-acetoxy-cyclohexadienon
CID 129630020
1-Oxaspiro[4.5]deca-7,9-diene-2,6-dione
CID 130031433
(3aS,7aS)-3a,7a-dimethyl-3-methylidene-4H-1-benzofuran-2,5-dione
CID 162398436
(3aS,7aR)-7,7a-dimethyl-3-methylidene-3a,4-dihydro-1-benzofuran-2,5-dione
CID 162400110

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione?
The IUPAC name of 9-methyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione (CID 130031435) is 9-methyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione.
What is the SMILES notation for 9-methyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione?
The canonical SMILES for 9-methyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione is CC1=CC2(CCC(=O)O2)C(=O)C=C1.
What is the InChIKey of 9-methyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione?
The InChIKey is NOOVAKRRTDETKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-7-2-3-8(11)10(6-7)5-4-9(12)13-10/h2-3,6H,4-5H2,1H3.
What are the key properties of 9-methyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione?
9-methyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione has a molecular weight of 178.19 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione is sourced from PubChem (CID 130031435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).