4-[(E)-hex-2-enoxy]-1-oxaspiro[4.5]dec-3-en-2-one

C15H22O3 — CID 11010380

IUPAC4-[(E)-hex-2-enoxy]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCCC/C=C/COC1=CC(=O)OC12CCCCC2
InChIInChI=1S/C15H22O3/c1-2-3-4-8-11-17-13-12-14(16)18-15(13)9-6-5-7-10-15/h4,8,12H,2-3,5-7,9-11H2,1H3/b8-4+
InChIKeySIGFWGOHIRZDSJ-XBXARRHUSA-N
MW250.34 g/mol
LogP3.50
Rot. Bonds5

About 4-[(E)-hex-2-enoxy]-1-oxaspiro[4.5]dec-3-en-2-one

4-[(E)-hex-2-enoxy]-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 11010380) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[(E)-hex-2-enoxy]-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-[(E)-hex-2-enoxy]-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID11010380
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name4-[(E)-hex-2-enoxy]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCCC/C=C/COC1=CC(=O)OC12CCCCC2
InChIInChI=1S/C15H22O3/c1-2-3-4-8-11-17-13-12-14(16)18-15(13)9-6-5-7-10-15/h4,8,12H,2-3,5-7,9-11H2,1H3/b8-4+
InChIKeySIGFWGOHIRZDSJ-XBXARRHUSA-N
XLogP3.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Methoxy-1-oxaspiro[4.5]dec-3-en-2-one
CID 581148
Qzncqewlhcxerh-uhfffaoysa-
CID 400248
methyl (2Z)-2-[(3R,5S)-3-ethyl-5-[(E,2R)-2-ethylhex-3-enyl]-5-methyloxolan-2-ylidene]acetate
CID 9994617
4-Ethoxy-1-oxaspiro[4.5]dec-3-en-2-one
CID 13209948
ethyl (2E)-2-(3-butyloxolan-2-ylidene)acetate
CID 134970385
[(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate
CID 13146631
4-Methoxy-1-oxaspiro[4.5]dec-3-ene
CID 13300108
[(2R)-2-pentyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate
CID 14891633
(2-cyclohexyl-5,5-dimethyl-2H-furan-3-yl) acetate
CID 102183559
[(2R)-2-cyclohexyl-5-oxo-2H-furan-3-yl] acetate
CID 102186232
(5R)-4-but-3-enoxy-5-but-3-enyl-5-methylfuran-2-one
CID 122218283
ethyl (2E)-2-[5-ethyl-5-[(Z)-prop-1-enyl]oxolan-2-ylidene]acetate
CID 134901962

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hex-2-enoxy]-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-[(E)-hex-2-enoxy]-1-oxaspiro[4.5]dec-3-en-2-one (CID 11010380) is 4-[(E)-hex-2-enoxy]-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-[(E)-hex-2-enoxy]-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-[(E)-hex-2-enoxy]-1-oxaspiro[4.5]dec-3-en-2-one is CCC/C=C/COC1=CC(=O)OC12CCCCC2.
What is the InChIKey of 4-[(E)-hex-2-enoxy]-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is SIGFWGOHIRZDSJ-XBXARRHUSA-N. The full InChI is InChI=1S/C15H22O3/c1-2-3-4-8-11-17-13-12-14(16)18-15(13)9-6-5-7-10-15/h4,8,12H,2-3,5-7,9-11H2,1H3/b8-4+.
What are the key properties of 4-[(E)-hex-2-enoxy]-1-oxaspiro[4.5]dec-3-en-2-one?
4-[(E)-hex-2-enoxy]-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 250.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hex-2-enoxy]-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 11010380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).