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

C9H10O3 — CID 11480641

IUPAC7-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESCC1=CC2(C=CC1=O)OCCO2
InChIInChI=1S/C9H10O3/c1-7-6-9(3-2-8(7)10)11-4-5-12-9/h2-3,6H,4-5H2,1H3
InChIKeyIGWHZUASSYNJKY-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.81
Rot. Bonds

About 7-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

7-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 11480641) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 7-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name7-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID11480641
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name7-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESCC1=CC2(C=CC1=O)OCCO2
InChIInChI=1S/C9H10O3/c1-7-6-9(3-2-8(7)10)11-4-5-12-9/h2-3,6H,4-5H2,1H3
InChIKeyIGWHZUASSYNJKY-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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Related Compounds

1,4-Dioxaspiro(4.5)deca-6,9-dien-8-one
CID 592339
4,4-Dimethoxy-2-methylcyclohexa-2,5-dien-1-one
CID 12488286
4-(2,2-Dimethyl-1,3-dioxolan-4-yl)but-3-en-2-one
CID 12861738
(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-one
CID 10797237
(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 10856071
(Z)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-one
CID 10942866
4-(2-Methyl-1,3-dioxolan-2-yl)cyclohexa-3,5-diene-1,2-dione
CID 11275564
(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylbut-3-en-2-one
CID 11401171
6-Methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 14025021
(E)-3-(2-methyl-1,3-dioxolan-2-yl)but-2-enal
CID 14286432
Methyl 2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole-5-carboxylate
CID 14414084
(2s,3s)-3,6-Dihydro-6-oxo-2-{(1e)-2-[(4s,5s)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethenyl}-2h-pyran-3-yl (2e)-2-methylbut-2-enoate
CID 15087886

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of 7-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (CID 11480641) is 7-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for 7-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for 7-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is CC1=CC2(C=CC1=O)OCCO2.
What is the InChIKey of 7-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is IGWHZUASSYNJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-7-6-9(3-2-8(7)10)11-4-5-12-9/h2-3,6H,4-5H2,1H3.
What are the key properties of 7-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
7-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 7-methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 11480641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).