1-oxaspiro[4.4]nona-3,8-dien-2-one

C8H8O2 — CID 15414455

IUPAC1-oxaspiro[4.4]nona-3,8-dien-2-one
SMILESO=C1C=CC2(C=CCC2)O1
InChIInChI=1S/C8H8O2/c9-7-3-6-8(10-7)4-1-2-5-8/h1,3-4,6H,2,5H2
InChIKeyPGJIMDGXRDRSKR-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.19
Rot. Bonds

About 1-oxaspiro[4.4]nona-3,8-dien-2-one

1-oxaspiro[4.4]nona-3,8-dien-2-one (PubChem CID 15414455) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 1-oxaspiro[4.4]nona-3,8-dien-2-one.

Molecular Properties

Compound Name1-oxaspiro[4.4]nona-3,8-dien-2-one
PubChem CID15414455
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name1-oxaspiro[4.4]nona-3,8-dien-2-one
SMILESO=C1C=CC2(C=CCC2)O1
InChIInChI=1S/C8H8O2/c9-7-3-6-8(10-7)4-1-2-5-8/h1,3-4,6H,2,5H2
InChIKeyPGJIMDGXRDRSKR-UHFFFAOYSA-N
XLogP1.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.19
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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CID 86168060
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CID 15636290
(5R)-5-methyl-5-(4-methylpent-3-enyl)furan-2-one
CID 101897151
4-Isopropyl-5,5-dimethyl-5H-furan-2-one
CID 539022
1-Oxaspiro[4.4]non-3-en-2-one
CID 11073494
5,5-Dipropylfuran-2-one
CID 12712267
5-Butyl-5-ethylfuran-2-one
CID 13056787
methyl (E)-3-(2-butyl-4,5,5-trimethylfuran-2-yl)prop-2-enoate
CID 11139626
methyl (2E)-6-acetyloxy-2,6-dimethylocta-2,7-dienoate
CID 11287909
3,7-Dimethylocta-1,6-dien-3-yl prop-2-enoate
CID 15319663
5-(2-Methylpropyl)furan-2(5H)-one
CID 15563570

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.4]nona-3,8-dien-2-one?
The IUPAC name of 1-oxaspiro[4.4]nona-3,8-dien-2-one (CID 15414455) is 1-oxaspiro[4.4]nona-3,8-dien-2-one.
What is the SMILES notation for 1-oxaspiro[4.4]nona-3,8-dien-2-one?
The canonical SMILES for 1-oxaspiro[4.4]nona-3,8-dien-2-one is O=C1C=CC2(C=CCC2)O1.
What is the InChIKey of 1-oxaspiro[4.4]nona-3,8-dien-2-one?
The InChIKey is PGJIMDGXRDRSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c9-7-3-6-8(10-7)4-1-2-5-8/h1,3-4,6H,2,5H2.
What are the key properties of 1-oxaspiro[4.4]nona-3,8-dien-2-one?
1-oxaspiro[4.4]nona-3,8-dien-2-one has a molecular weight of 136.15 g/mol, XLogP of 1.19, 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]nona-3,8-dien-2-one is sourced from PubChem (CID 15414455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).