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

C10H12O3 — CID 11105945

IUPAC7,9-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESCC1=CC2(C=C(C)C1=O)OCCO2
InChIInChI=1S/C10H12O3/c1-7-5-10(12-3-4-13-10)6-8(2)9(7)11/h5-6H,3-4H2,1-2H3
InChIKeyGFUWAABESLFPDB-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.20
Rot. Bonds

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

7,9-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 11105945) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 7,9-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name7,9-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID11105945
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name7,9-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESCC1=CC2(C=C(C)C1=O)OCCO2
InChIInChI=1S/C10H12O3/c1-7-5-10(12-3-4-13-10)6-8(2)9(7)11/h5-6H,3-4H2,1-2H3
InChIKeyGFUWAABESLFPDB-UHFFFAOYSA-N
XLogP1.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.20
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
(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 10856071
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
7-Methyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 11480641
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
ethyl (E)-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)but-2-enoate
CID 121006347
(E)-6-(1,3-dioxolan-2-yl)hept-5-en-2-one
CID 134986148
2,3-Dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 10012513
6,7,9-Trimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 14572627
2,3,7,9-Tetramethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 70873259

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of 7,9-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (CID 11105945) is 7,9-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for 7,9-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for 7,9-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is CC1=CC2(C=C(C)C1=O)OCCO2.
What is the InChIKey of 7,9-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is GFUWAABESLFPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-5-10(12-3-4-13-10)6-8(2)9(7)11/h5-6H,3-4H2,1-2H3.
What are the key properties of 7,9-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
7,9-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 180.20 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 11105945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).