10-methoxyspiro[4.5]deca-6,9-dien-8-one

C11H14O2 — CID 45116909

IUPAC10-methoxyspiro[4.5]deca-6,9-dien-8-one
SMILESCOC1=CC(=O)C=CC12CCCC2
InChIInChI=1S/C11H14O2/c1-13-10-8-9(12)4-7-11(10)5-2-3-6-11/h4,7-8H,2-3,5-6H2,1H3
InChIKeyZFUJSWHOKWAQKP-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.22
Rot. Bonds1

About 10-methoxyspiro[4.5]deca-6,9-dien-8-one

10-methoxyspiro[4.5]deca-6,9-dien-8-one (PubChem CID 45116909) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 10-methoxyspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name10-methoxyspiro[4.5]deca-6,9-dien-8-one
PubChem CID45116909
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name10-methoxyspiro[4.5]deca-6,9-dien-8-one
SMILESCOC1=CC(=O)C=CC12CCCC2
InChIInChI=1S/C11H14O2/c1-13-10-8-9(12)4-7-11(10)5-2-3-6-11/h4,7-8H,2-3,5-6H2,1H3
InChIKeyZFUJSWHOKWAQKP-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-methoxyspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of 10-methoxyspiro[4.5]deca-6,9-dien-8-one (CID 45116909) is 10-methoxyspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for 10-methoxyspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for 10-methoxyspiro[4.5]deca-6,9-dien-8-one is COC1=CC(=O)C=CC12CCCC2.
What is the InChIKey of 10-methoxyspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is ZFUJSWHOKWAQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-13-10-8-9(12)4-7-11(10)5-2-3-6-11/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 10-methoxyspiro[4.5]deca-6,9-dien-8-one?
10-methoxyspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 178.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxyspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 45116909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).