7-prop-2-enyl-6-oxaspiro[4.5]dec-8-en-10-one

C12H16O2 — CID 53391907

IUPAC7-prop-2-enyl-6-oxaspiro[4.5]dec-8-en-10-one
SMILESC=CCC1C=CC(=O)C2(CCCC2)O1
InChIInChI=1S/C12H16O2/c1-2-5-10-6-7-11(13)12(14-10)8-3-4-9-12/h2,6-7,10H,1,3-5,8-9H2
InChIKeyWNXQGUKCCOPKID-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.40
Rot. Bonds2

About 7-prop-2-enyl-6-oxaspiro[4.5]dec-8-en-10-one

7-prop-2-enyl-6-oxaspiro[4.5]dec-8-en-10-one (PubChem CID 53391907) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 7-prop-2-enyl-6-oxaspiro[4.5]dec-8-en-10-one.

Molecular Properties

Compound Name7-prop-2-enyl-6-oxaspiro[4.5]dec-8-en-10-one
PubChem CID53391907
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name7-prop-2-enyl-6-oxaspiro[4.5]dec-8-en-10-one
SMILESC=CCC1C=CC(=O)C2(CCCC2)O1
InChIInChI=1S/C12H16O2/c1-2-5-10-6-7-11(13)12(14-10)8-3-4-9-12/h2,6-7,10H,1,3-5,8-9H2
InChIKeyWNXQGUKCCOPKID-UHFFFAOYSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.40
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

2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
CID 14802850
(2R)-3-methyl-2-[(4E,6E)-2-methyl-3-oxoocta-4,6-dienyl]-2H-pyran-5-one
CID 134864916
1-(6-Methyl-2,5-dihydropyran-6-yl)pent-4-en-1-one
CID 10607470
(2R)-2-[(2R,4E,6E)-2-methyl-3-oxoocta-4,6-dienyl]-2H-pyran-5-one
CID 15727107
(6R)-6-(2-methyl-3-oxobutyl)-2H-pyran-5-one
CID 15747722
7-Methylidene-6-oxaspiro[4.5]dec-8-en-10-one
CID 20695160
2-Ethyl-2-methyl-6-methylidenepyran-3-one;7-methylidene-6-oxaspiro[4.5]dec-8-en-10-one
CID 91295007
6-butyl-2H-pyran-5-one
CID 91468041
(2R,6R)-6-but-3-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one
CID 11974423
(2R,6R)-2-propan-2-yl-1-oxaspiro[5.5]undeca-4,9-dien-3-one
CID 11974424
(2R,6R)-6-pent-4-enyl-2-propan-2-yl-6-prop-2-enylpyran-3-one
CID 11975683
(2R,6R)-2-propan-2-yl-1-oxaspiro[5.6]dodeca-4,8-dien-3-one
CID 11975686

Frequently Asked Questions

What is the IUPAC name of 7-prop-2-enyl-6-oxaspiro[4.5]dec-8-en-10-one?
The IUPAC name of 7-prop-2-enyl-6-oxaspiro[4.5]dec-8-en-10-one (CID 53391907) is 7-prop-2-enyl-6-oxaspiro[4.5]dec-8-en-10-one.
What is the SMILES notation for 7-prop-2-enyl-6-oxaspiro[4.5]dec-8-en-10-one?
The canonical SMILES for 7-prop-2-enyl-6-oxaspiro[4.5]dec-8-en-10-one is C=CCC1C=CC(=O)C2(CCCC2)O1.
What is the InChIKey of 7-prop-2-enyl-6-oxaspiro[4.5]dec-8-en-10-one?
The InChIKey is WNXQGUKCCOPKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-5-10-6-7-11(13)12(14-10)8-3-4-9-12/h2,6-7,10H,1,3-5,8-9H2.
What are the key properties of 7-prop-2-enyl-6-oxaspiro[4.5]dec-8-en-10-one?
7-prop-2-enyl-6-oxaspiro[4.5]dec-8-en-10-one has a molecular weight of 192.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-2-enyl-6-oxaspiro[4.5]dec-8-en-10-one is sourced from PubChem (CID 53391907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).