5-[(E)-oct-6-enyl]oxolan-2-one

C12H20O2 — CID 53238342

IUPAC5-[(E)-oct-6-enyl]oxolan-2-one
SMILESC/C=C/CCCCCC1CCC(=O)O1
InChIInChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h2-3,11H,4-10H2,1H3/b3-2+
InChIKeyBTTIJUQPXVRBCI-NSCUHMNNSA-N
MW196.29 g/mol
LogP3.22
Rot. Bonds6

About 5-[(E)-oct-6-enyl]oxolan-2-one

5-[(E)-oct-6-enyl]oxolan-2-one (PubChem CID 53238342) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-[(E)-oct-6-enyl]oxolan-2-one.

Molecular Properties

Compound Name5-[(E)-oct-6-enyl]oxolan-2-one
PubChem CID53238342
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5-[(E)-oct-6-enyl]oxolan-2-one
SMILESC/C=C/CCCCCC1CCC(=O)O1
InChIInChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h2-3,11H,4-10H2,1H3/b3-2+
InChIKeyBTTIJUQPXVRBCI-NSCUHMNNSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(E)-oct-6-enyl]oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(Z)-dec-7-enyl]oxolan-2-one
CID 53238344
5-hex-5-enyloxolan-2-one
CID 15818771
5-octyloxolan-2-one
CID 16821
(5S)-5-tridecyloxolan-2-one
CID 11065462
(5S)-5-pentacosyloxolan-2-one
CID 11102176
(5R)-5-butyloxolan-2-one
CID 7057971
(5S)-5-tetradec-5-ynyloxolan-2-one
CID 171341399
6-[(E)-hept-4-enyl]oxan-2-one
CID 71587972
5-[3-[3-[3-(5-oxooxolan-2-yl)propylsulfanyl]propylsulfanyl]propyl]oxolan-2-one
CID 20633469
6-icosyloxan-2-one
CID 100966702
5-decyloxolan-2-one;4-methyl-5-pentyloxolan-2-one
CID 164873701
dec-2-ene;oxolane-2,5-dione
CID 175141022

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-oct-6-enyl]oxolan-2-one?
The IUPAC name of 5-[(E)-oct-6-enyl]oxolan-2-one (CID 53238342) is 5-[(E)-oct-6-enyl]oxolan-2-one.
What is the SMILES notation for 5-[(E)-oct-6-enyl]oxolan-2-one?
The canonical SMILES for 5-[(E)-oct-6-enyl]oxolan-2-one is C/C=C/CCCCCC1CCC(=O)O1.
What is the InChIKey of 5-[(E)-oct-6-enyl]oxolan-2-one?
The InChIKey is BTTIJUQPXVRBCI-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h2-3,11H,4-10H2,1H3/b3-2+.
What are the key properties of 5-[(E)-oct-6-enyl]oxolan-2-one?
5-[(E)-oct-6-enyl]oxolan-2-one has a molecular weight of 196.29 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-oct-6-enyl]oxolan-2-one is sourced from PubChem (CID 53238342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).