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

C11H14O2 — CID 15700733

IUPAC7,9-dimethyl-1-oxaspiro[4.5]deca-6,9-dien-8-one
SMILESCC1=CC2(C=C(C)C1=O)CCCO2
InChIInChI=1S/C11H14O2/c1-8-6-11(4-3-5-13-11)7-9(2)10(8)12/h6-7H,3-5H2,1-2H3
InChIKeyNSNLIRQTAINNJB-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.01
Rot. Bonds

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

7,9-dimethyl-1-oxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 15700733) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 7,9-dimethyl-1-oxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name7,9-dimethyl-1-oxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID15700733
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name7,9-dimethyl-1-oxaspiro[4.5]deca-6,9-dien-8-one
SMILESCC1=CC2(C=C(C)C1=O)CCCO2
InChIInChI=1S/C11H14O2/c1-8-6-11(4-3-5-13-11)7-9(2)10(8)12/h6-7H,3-5H2,1-2H3
InChIKeyNSNLIRQTAINNJB-UHFFFAOYSA-N
XLogP2.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of 7,9-dimethyl-1-oxaspiro[4.5]deca-6,9-dien-8-one (CID 15700733) is 7,9-dimethyl-1-oxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for 7,9-dimethyl-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for 7,9-dimethyl-1-oxaspiro[4.5]deca-6,9-dien-8-one is CC1=CC2(C=C(C)C1=O)CCCO2.
What is the InChIKey of 7,9-dimethyl-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is NSNLIRQTAINNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8-6-11(4-3-5-13-11)7-9(2)10(8)12/h6-7H,3-5H2,1-2H3.
What are the key properties of 7,9-dimethyl-1-oxaspiro[4.5]deca-6,9-dien-8-one?
7,9-dimethyl-1-oxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 178.23 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-1-oxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 15700733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).