1-oxaspiro[4.5]deca-3,7-dien-2-one

C9H10O2 — CID 13056788

IUPAC1-oxaspiro[4.5]deca-3,7-dien-2-one
SMILESO=C1C=CC2(CC=CCC2)O1
InChIInChI=1S/C9H10O2/c10-8-4-7-9(11-8)5-2-1-3-6-9/h1-2,4,7H,3,5-6H2
InChIKeyDDXTZMHRHNWIBL-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.58
Rot. Bonds

About 1-oxaspiro[4.5]deca-3,7-dien-2-one

1-oxaspiro[4.5]deca-3,7-dien-2-one (PubChem CID 13056788) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-oxaspiro[4.5]deca-3,7-dien-2-one.

Molecular Properties

Compound Name1-oxaspiro[4.5]deca-3,7-dien-2-one
PubChem CID13056788
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name1-oxaspiro[4.5]deca-3,7-dien-2-one
SMILESO=C1C=CC2(CC=CCC2)O1
InChIInChI=1S/C9H10O2/c10-8-4-7-9(11-8)5-2-1-3-6-9/h1-2,4,7H,3,5-6H2
InChIKeyDDXTZMHRHNWIBL-UHFFFAOYSA-N
XLogP1.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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1-Oxaspiro[5.5]undec-3-en-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.5]deca-3,7-dien-2-one?
The IUPAC name of 1-oxaspiro[4.5]deca-3,7-dien-2-one (CID 13056788) is 1-oxaspiro[4.5]deca-3,7-dien-2-one.
What is the SMILES notation for 1-oxaspiro[4.5]deca-3,7-dien-2-one?
The canonical SMILES for 1-oxaspiro[4.5]deca-3,7-dien-2-one is O=C1C=CC2(CC=CCC2)O1.
What is the InChIKey of 1-oxaspiro[4.5]deca-3,7-dien-2-one?
The InChIKey is DDXTZMHRHNWIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-8-4-7-9(11-8)5-2-1-3-6-9/h1-2,4,7H,3,5-6H2.
What are the key properties of 1-oxaspiro[4.5]deca-3,7-dien-2-one?
1-oxaspiro[4.5]deca-3,7-dien-2-one has a molecular weight of 150.18 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.5]deca-3,7-dien-2-one is sourced from PubChem (CID 13056788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).