6-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

C9H10O3 — CID 14025021

IUPAC6-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESCC1=CC(=O)C=CC12OCCO2
InChIInChI=1S/C9H10O3/c1-7-6-8(10)2-3-9(7)11-4-5-12-9/h2-3,6H,4-5H2,1H3
InChIKeyCXWYRKAGPDRVQF-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.81
Rot. Bonds

About 6-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

6-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 14025021) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 6-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name6-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID14025021
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name6-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESCC1=CC(=O)C=CC12OCCO2
InChIInChI=1S/C9H10O3/c1-7-6-8(10)2-3-9(7)11-4-5-12-9/h2-3,6H,4-5H2,1H3
InChIKeyCXWYRKAGPDRVQF-UHFFFAOYSA-N
XLogP0.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of 6-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (CID 14025021) is 6-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for 6-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for 6-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is CC1=CC(=O)C=CC12OCCO2.
What is the InChIKey of 6-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is CXWYRKAGPDRVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-7-6-8(10)2-3-9(7)11-4-5-12-9/h2-3,6H,4-5H2,1H3.
What are the key properties of 6-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
6-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 166.18 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 14025021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).