4-[(2E,4E)-hexa-2,4-dienoxy]-1-oxaspiro[4.5]dec-3-en-2-one

C15H20O3 — CID 10868648

IUPAC4-[(2E,4E)-hexa-2,4-dienoxy]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESC/C=C/C=C/COC1=CC(=O)OC12CCCCC2
InChIInChI=1S/C15H20O3/c1-2-3-4-8-11-17-13-12-14(16)18-15(13)9-6-5-7-10-15/h2-4,8,12H,5-7,9-11H2,1H3/b3-2+,8-4+
InChIKeyBDIBDMYIXSROSF-CRBCFSCISA-N
MW248.32 g/mol
LogP3.28
Rot. Bonds4

About 4-[(2E,4E)-hexa-2,4-dienoxy]-1-oxaspiro[4.5]dec-3-en-2-one

4-[(2E,4E)-hexa-2,4-dienoxy]-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 10868648) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-[(2E,4E)-hexa-2,4-dienoxy]-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-[(2E,4E)-hexa-2,4-dienoxy]-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID10868648
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name4-[(2E,4E)-hexa-2,4-dienoxy]-1-oxaspiro[4.5]dec-3-en-2-one
SMILESC/C=C/C=C/COC1=CC(=O)OC12CCCCC2
InChIInChI=1S/C15H20O3/c1-2-3-4-8-11-17-13-12-14(16)18-15(13)9-6-5-7-10-15/h2-4,8,12H,5-7,9-11H2,1H3/b3-2+,8-4+
InChIKeyBDIBDMYIXSROSF-CRBCFSCISA-N
XLogP3.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl (2z,6r,8r,9e)-3,6-epoxy-4,6,8-triethyl-2,4,9-dodecatrienoate
CID 11573100
4-Methoxy-1-oxaspiro[4.5]dec-3-en-2-one
CID 581148
6-cyclohexyl-4-methyl-2H-pyran-2-one
CID 19858323
methyl (2E)-2-[(5S)-3,5-diethyl-5-[(E,2R)-2-ethylhex-3-enyl]furan-2-ylidene]acetate
CID 162878273
4-Ethoxy-1-oxaspiro[4.5]dec-3-en-2-one
CID 13209948
Ethyl 2-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3-carboxylate
CID 135069632
[(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate
CID 13146631
[(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
ethyl (2E)-2-[5-ethyl-5-[(Z)-prop-1-enyl]oxolan-2-ylidene]acetate
CID 134901962
ethyl (2E)-2-[5-ethyl-5-[(E)-prop-1-enyl]oxolan-2-ylidene]acetate
CID 134981023

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4E)-hexa-2,4-dienoxy]-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-[(2E,4E)-hexa-2,4-dienoxy]-1-oxaspiro[4.5]dec-3-en-2-one (CID 10868648) is 4-[(2E,4E)-hexa-2,4-dienoxy]-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-[(2E,4E)-hexa-2,4-dienoxy]-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-[(2E,4E)-hexa-2,4-dienoxy]-1-oxaspiro[4.5]dec-3-en-2-one is C/C=C/C=C/COC1=CC(=O)OC12CCCCC2.
What is the InChIKey of 4-[(2E,4E)-hexa-2,4-dienoxy]-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is BDIBDMYIXSROSF-CRBCFSCISA-N. The full InChI is InChI=1S/C15H20O3/c1-2-3-4-8-11-17-13-12-14(16)18-15(13)9-6-5-7-10-15/h2-4,8,12H,5-7,9-11H2,1H3/b3-2+,8-4+.
What are the key properties of 4-[(2E,4E)-hexa-2,4-dienoxy]-1-oxaspiro[4.5]dec-3-en-2-one?
4-[(2E,4E)-hexa-2,4-dienoxy]-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 248.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E)-hexa-2,4-dienoxy]-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 10868648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).