1-oxaspiro[4.5]deca-6,8-dien-2-one

C9H10O2 — CID 10880780

IUPAC1-oxaspiro[4.5]deca-6,8-dien-2-one
SMILESO=C1CCC2(C=CC=CC2)O1
InChIInChI=1S/C9H10O2/c10-8-4-7-9(11-8)5-2-1-3-6-9/h1-3,5H,4,6-7H2
InChIKeyUXYWDIJQXZXTFJ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.58
Rot. Bonds

About 1-oxaspiro[4.5]deca-6,8-dien-2-one

1-oxaspiro[4.5]deca-6,8-dien-2-one (PubChem CID 10880780) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-oxaspiro[4.5]deca-6,8-dien-2-one.

Molecular Properties

Compound Name1-oxaspiro[4.5]deca-6,8-dien-2-one
PubChem CID10880780
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name1-oxaspiro[4.5]deca-6,8-dien-2-one
SMILESO=C1CCC2(C=CC=CC2)O1
InChIInChI=1S/C9H10O2/c10-8-4-7-9(11-8)5-2-1-3-6-9/h1-3,5H,4,6-7H2
InChIKeyUXYWDIJQXZXTFJ-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

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Related Compounds

3a,4,5,7a-tetrahydro-2(3H)-benzofuranone
CID 12368300
cis 3a,4,5,7a-tetrahydro-2(3H)-benzofuranone
CID 11205783
1-Oxaspiro[4.5]dec-7-en-2-one
CID 15073431
1-Oxaspiro[4.5]dec-6-en-2-one
CID 11062559
(3aR,7aS)-3a,4,5,7a-tetrahydro-3H-1-benzofuran-2-one
CID 11116133
1-Oxaspiro[4.4]non-6-en-2-one
CID 13203969
1-Oxaspiro[4.5]deca-7,9-diene-2,6-dione
CID 130031433
3-Methylidene-1-oxaspiro[4.5]dec-6-en-2-one
CID 10419519
Spiro[6,7-dihydro-2-benzofuran-3,4'-cyclohexane]-1,1'-dione
CID 69259134
5-Hept-2-enyl-5-methyloxolan-2-one
CID 70541383
5-Cyclohexa-1,5-dien-1-yloxolan-2-one
CID 89167000
(5S)-1-oxaspiro[4.5]deca-7,9-diene-2,6-dione
CID 102204185

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.5]deca-6,8-dien-2-one?
The IUPAC name of 1-oxaspiro[4.5]deca-6,8-dien-2-one (CID 10880780) is 1-oxaspiro[4.5]deca-6,8-dien-2-one.
What is the SMILES notation for 1-oxaspiro[4.5]deca-6,8-dien-2-one?
The canonical SMILES for 1-oxaspiro[4.5]deca-6,8-dien-2-one is O=C1CCC2(C=CC=CC2)O1.
What is the InChIKey of 1-oxaspiro[4.5]deca-6,8-dien-2-one?
The InChIKey is UXYWDIJQXZXTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-8-4-7-9(11-8)5-2-1-3-6-9/h1-3,5H,4,6-7H2.
What are the key properties of 1-oxaspiro[4.5]deca-6,8-dien-2-one?
1-oxaspiro[4.5]deca-6,8-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-6,8-dien-2-one is sourced from PubChem (CID 10880780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).