4-[(E)-oct-1-enyl]-2H-furan-5-one

C12H18O2 — CID 101020719

IUPAC4-[(E)-oct-1-enyl]-2H-furan-5-one
SMILESCCCCCC/C=C/C1=CCOC1=O
InChIInChI=1S/C12H18O2/c1-2-3-4-5-6-7-8-11-9-10-14-12(11)13/h7-9H,2-6,10H2,1H3/b8-7+
InChIKeyHRSCSPVRGPRWLL-BQYQJAHWSA-N
MW194.27 g/mol
LogP3.00
Rot. Bonds6

About 4-[(E)-oct-1-enyl]-2H-furan-5-one

4-[(E)-oct-1-enyl]-2H-furan-5-one (PubChem CID 101020719) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4-[(E)-oct-1-enyl]-2H-furan-5-one.

Molecular Properties

Compound Name4-[(E)-oct-1-enyl]-2H-furan-5-one
PubChem CID101020719
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4-[(E)-oct-1-enyl]-2H-furan-5-one
SMILESCCCCCC/C=C/C1=CCOC1=O
InChIInChI=1S/C12H18O2/c1-2-3-4-5-6-7-8-11-9-10-14-12(11)13/h7-9H,2-6,10H2,1H3/b8-7+
InChIKeyHRSCSPVRGPRWLL-BQYQJAHWSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2,4-decadienoate, (2E,4Z)-
CID 5281162
Geranyl tiglate
CID 5367785
Hexenyl tiglate, (3Z)-
CID 15461361
Ethyl 2-decenoate, (2E)-
CID 5463904
2,4-Decadienoic acid, ethyl ester, (2E,4E)-
CID 5371455
3-N-Butyl-4,5-Dihydrophthalide
CID 173843
Propyl 2,4-decadienoate, (2E,4E)-
CID 5362592
Propyl deca-2,4-dienoate
CID 119922
Propyl (2E,4Z)-2,4-decadienoate
CID 6438200
(,E)-3,7-Dimethyl-2,6-octadienyl 2-butenoate
CID 5980396
2-Butenoic acid, 2-methyl-, (3Z)-3-hexenyl ester, (2Z)-
CID 16220109
2-Dodecenoic acid, ethyl ester, (2E)-
CID 11287580

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-oct-1-enyl]-2H-furan-5-one?
The IUPAC name of 4-[(E)-oct-1-enyl]-2H-furan-5-one (CID 101020719) is 4-[(E)-oct-1-enyl]-2H-furan-5-one.
What is the SMILES notation for 4-[(E)-oct-1-enyl]-2H-furan-5-one?
The canonical SMILES for 4-[(E)-oct-1-enyl]-2H-furan-5-one is CCCCCC/C=C/C1=CCOC1=O.
What is the InChIKey of 4-[(E)-oct-1-enyl]-2H-furan-5-one?
The InChIKey is HRSCSPVRGPRWLL-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-3-4-5-6-7-8-11-9-10-14-12(11)13/h7-9H,2-6,10H2,1H3/b8-7+.
What are the key properties of 4-[(E)-oct-1-enyl]-2H-furan-5-one?
4-[(E)-oct-1-enyl]-2H-furan-5-one has a molecular weight of 194.27 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-oct-1-enyl]-2H-furan-5-one is sourced from PubChem (CID 101020719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).