3-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-dien-2-one

C12H14O2 — CID 138976854

IUPAC3-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-dien-2-one
SMILESC=C(C)C1=CC2(C=CCCC2)OC1=O
InChIInChI=1S/C12H14O2/c1-9(2)10-8-12(14-11(10)13)6-4-3-5-7-12/h4,6,8H,1,3,5,7H2,2H3
InChIKeyARACEDWXBYXATE-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.52
Rot. Bonds1

About 3-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-dien-2-one

3-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-dien-2-one (PubChem CID 138976854) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-dien-2-one.

Molecular Properties

Compound Name3-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-dien-2-one
PubChem CID138976854
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-dien-2-one
SMILESC=C(C)C1=CC2(C=CCCC2)OC1=O
InChIInChI=1S/C12H14O2/c1-9(2)10-8-12(14-11(10)13)6-4-3-5-7-12/h4,6,8H,1,3,5,7H2,2H3
InChIKeyARACEDWXBYXATE-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.52
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 5319022
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CID 641587
3-Butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one
CID 529865
(5R)-5-[(1E,3E)-dodeca-1,3-dienyl]-5-methyl-3-methylideneoxolan-2-one
CID 11437352
(5S)-4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
CID 21668635
Elijopyrone D
CID 21774263
(5R)-3,5-diethyl-5-[(E,2R)-2-ethylhex-3-enyl]furan-2-one
CID 11586873
3-[(E)-but-1-enyl]-4-propylfuran-2,5-dione
CID 171345129
5-(E)-But-2-enylidene-3-propyl-5H-furan-2-one
CID 10035170
(5E)-5-ethylidene-3,6,6-trimethylpyran-2-one
CID 14606175
(5S)-3,5-diethyl-5-[(E,2R)-2-ethylhex-3-enyl]furan-2-one
CID 162856502

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-dien-2-one?
The IUPAC name of 3-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-dien-2-one (CID 138976854) is 3-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-dien-2-one.
What is the SMILES notation for 3-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-dien-2-one?
The canonical SMILES for 3-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-dien-2-one is C=C(C)C1=CC2(C=CCCC2)OC1=O.
What is the InChIKey of 3-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-dien-2-one?
The InChIKey is ARACEDWXBYXATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9(2)10-8-12(14-11(10)13)6-4-3-5-7-12/h4,6,8H,1,3,5,7H2,2H3.
What are the key properties of 3-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-dien-2-one?
3-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-dien-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yl-1-oxaspiro[4.5]deca-3,6-dien-2-one is sourced from PubChem (CID 138976854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).