1-oxaspiro[4.4]non-8-en-2-one

C8H10O2 — CID 13203969

IUPAC1-oxaspiro[4.4]non-8-en-2-one
SMILESO=C1CCC2(C=CCC2)O1
InChIInChI=1S/C8H10O2/c9-7-3-6-8(10-7)4-1-2-5-8/h1,4H,2-3,5-6H2
InChIKeyVRBCESVXJRKZCJ-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.41
Rot. Bonds

About 1-oxaspiro[4.4]non-8-en-2-one

1-oxaspiro[4.4]non-8-en-2-one (PubChem CID 13203969) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-oxaspiro[4.4]non-8-en-2-one.

Molecular Properties

Compound Name1-oxaspiro[4.4]non-8-en-2-one
PubChem CID13203969
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1-oxaspiro[4.4]non-8-en-2-one
SMILESO=C1CCC2(C=CCC2)O1
InChIInChI=1S/C8H10O2/c9-7-3-6-8(10-7)4-1-2-5-8/h1,4H,2-3,5-6H2
InChIKeyVRBCESVXJRKZCJ-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.41
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

4-Hydroxy-4-methyl decenoic acid gamma lactone, (7Z)-
CID 11332852
2(3H)-Furanone, 5-(3-hexenyl)dihydro-5-methyl-, (E)-
CID 6436439
Orin lactone
CID 9942315
(3S,3aR,6aS)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one
CID 101410414
(3R,3aR,6aS)-3,6,6a-trimethyl-3a,4-dihydro-3H-cyclopenta[b]furan-2-one
CID 163010359
5-Hex-3-enyl-5-methyloxolan-2-one
CID 85703
1-Oxaspiro[4.5]dec-7-en-2-one
CID 15073431
1-Oxaspiro[4.5]dec-6-en-2-one
CID 11062559
1-Oxaspiro[4.5]dec-6-en-2-one, 4,4,8-trimethyl-, (5S,8R)-
CID 11287018
5-(Cyclohexen-1-yl)-5-methyloxolan-2-one
CID 86161315
(5r,8r)-(-)-4,4,8-Trimethyl-1-oxaspiro[4.5]dec-6-en-2-one
CID 129866105
(5s,8s)-(+)-4,4,8-Trimethyl-1-oxaspiro[4.5]dec-6-en-2-one
CID 129866339

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.4]non-8-en-2-one?
The IUPAC name of 1-oxaspiro[4.4]non-8-en-2-one (CID 13203969) is 1-oxaspiro[4.4]non-8-en-2-one.
What is the SMILES notation for 1-oxaspiro[4.4]non-8-en-2-one?
The canonical SMILES for 1-oxaspiro[4.4]non-8-en-2-one is O=C1CCC2(C=CCC2)O1.
What is the InChIKey of 1-oxaspiro[4.4]non-8-en-2-one?
The InChIKey is VRBCESVXJRKZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-7-3-6-8(10-7)4-1-2-5-8/h1,4H,2-3,5-6H2.
What are the key properties of 1-oxaspiro[4.4]non-8-en-2-one?
1-oxaspiro[4.4]non-8-en-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.4]non-8-en-2-one is sourced from PubChem (CID 13203969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).