2-oct-4-enyloxirane

C10H18O — CID 142666275

IUPAC2-oct-4-enyloxirane
SMILESCCCC=CCCCC1CO1
InChIInChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h4-5,10H,2-3,6-9H2,1H3
InChIKeyPYIXPSGTYQRDFF-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds6

About 2-oct-4-enyloxirane

2-oct-4-enyloxirane (PubChem CID 142666275) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-oct-4-enyloxirane.

Molecular Properties

Compound Name2-oct-4-enyloxirane
PubChem CID142666275
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-oct-4-enyloxirane
SMILESCCCC=CCCCC1CO1
InChIInChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h4-5,10H,2-3,6-9H2,1H3
InChIKeyPYIXPSGTYQRDFF-UHFFFAOYSA-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

1,2-Epoxy-5,9-cyclododecadiene
CID 5357430
17-Oxabicyclo[14.1.0]heptadec-8-ene
CID 19838536
1,2-Epoxy-cyclohexadec-9-ene
CID 54230859
17-Oxabicyclo(14.1.0)heptadec-8-ene
CID 56841879
(5Z,8Z,11Z,14Z)-1-Isopropoxy-icosa-5,8,11,14-tetraene
CID 10830440
9,10-Epoxy-1,5-cyclododecadiene
CID 6025413
(5Z,8Z,11Z,14Z)-1-sec-Butoxy-icosa-5,8,11,14-tetraene
CID 10569636
2-hept-6-enyl-3-[(2Z,5E)-octa-2,5-dienyl]oxirane
CID 177644771
(2R,3R)-2-hept-6-enyl-3-[(2Z,5Z)-octa-2,5-dienyl]oxirane
CID 162921617
(2R,3S)-2-hept-6-enyl-3-[(2Z,5Z)-octa-2,5-dienyl]oxirane
CID 163185194
5-Methoxy-cyclooctene
CID 5365282
2-(4-Methylpent-3-enyl)oxirane
CID 13434371

Frequently Asked Questions

What is the IUPAC name of 2-oct-4-enyloxirane?
The IUPAC name of 2-oct-4-enyloxirane (CID 142666275) is 2-oct-4-enyloxirane.
What is the SMILES notation for 2-oct-4-enyloxirane?
The canonical SMILES for 2-oct-4-enyloxirane is CCCC=CCCCC1CO1.
What is the InChIKey of 2-oct-4-enyloxirane?
The InChIKey is PYIXPSGTYQRDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h4-5,10H,2-3,6-9H2,1H3.
What are the key properties of 2-oct-4-enyloxirane?
2-oct-4-enyloxirane 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-oct-4-enyloxirane is sourced from PubChem (CID 142666275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).