2-[(E)-oct-3-enyl]oxirane

C10H18O — CID 58906870

IUPAC2-[(E)-oct-3-enyl]oxirane
SMILESCCCC/C=C/CCC1CO1
InChIInChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h5-6,10H,2-4,7-9H2,1H3/b6-5+
InChIKeyKPHGVWFLRAWMDM-AATRIKPKSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds6

About 2-[(E)-oct-3-enyl]oxirane

2-[(E)-oct-3-enyl]oxirane (PubChem CID 58906870) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-[(E)-oct-3-enyl]oxirane.

Molecular Properties

Compound Name2-[(E)-oct-3-enyl]oxirane
PubChem CID58906870
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-[(E)-oct-3-enyl]oxirane
SMILESCCCC/C=C/CCC1CO1
InChIInChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h5-6,10H,2-4,7-9H2,1H3/b6-5+
InChIKeyKPHGVWFLRAWMDM-AATRIKPKSA-N
XLogP2.91
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-nonadec-10-enyloxirane
CID 54194145
2-octadec-9-enyloxirane;phosphoric acid
CID 173288867
(2R)-2-pentyloxirane
CID 11147691
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-tetratetracontyloxirane
CID 102093754
2-hexadecyloxirane;tetradecane
CID 174899291
4-non-3-enyloxetan-2-one
CID 78148877
2-butyloxirane;trimethylsilane
CID 174652516

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-oct-3-enyl]oxirane?
The IUPAC name of 2-[(E)-oct-3-enyl]oxirane (CID 58906870) is 2-[(E)-oct-3-enyl]oxirane.
What is the SMILES notation for 2-[(E)-oct-3-enyl]oxirane?
The canonical SMILES for 2-[(E)-oct-3-enyl]oxirane is CCCC/C=C/CCC1CO1.
What is the InChIKey of 2-[(E)-oct-3-enyl]oxirane?
The InChIKey is KPHGVWFLRAWMDM-AATRIKPKSA-N. The full InChI is InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h5-6,10H,2-4,7-9H2,1H3/b6-5+.
What are the key properties of 2-[(E)-oct-3-enyl]oxirane?
2-[(E)-oct-3-enyl]oxirane has a molecular weight of 154.25 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-oct-3-enyl]oxirane is sourced from PubChem (CID 58906870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).