2-hex-4-enyloxirane

C8H14O — CID 173147162

IUPAC2-hex-4-enyloxirane
SMILESCC=CCCCC1CO1
InChIInChI=1S/C8H14O/c1-2-3-4-5-6-8-7-9-8/h2-3,8H,4-7H2,1H3
InChIKeyLIPJLQXOGSUSGB-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds4

About 2-hex-4-enyloxirane

2-hex-4-enyloxirane (PubChem CID 173147162) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-hex-4-enyloxirane.

Molecular Properties

Compound Name2-hex-4-enyloxirane
PubChem CID173147162
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-hex-4-enyloxirane
SMILESCC=CCCCC1CO1
InChIInChI=1S/C8H14O/c1-2-3-4-5-6-8-7-9-8/h2-3,8H,4-7H2,1H3
InChIKeyLIPJLQXOGSUSGB-UHFFFAOYSA-N
XLogP2.13
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
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
9,10-Epoxy-1,5-cyclododecadiene
CID 6025413
2-(4-Methylpent-3-enyl)oxirane
CID 13434371
4-Methoxycyclohept-1-ene
CID 13548985
2-[(E)-hex-3-enyl]oxirane
CID 19005258
2-[(Z)-hex-3-enyl]oxirane
CID 88848739
1,2-Epoxycyclododeca-5,9-diene
CID 79135
2-[(E)-7,7,7-trifluorohept-4-enyl]oxirane
CID 135023309
2-(2-Cyclohexa-1,4-dien-1-ylethyl)oxirane
CID 11480539
(4Z,8E)-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 13049640
2-(Pent-4-en-1-yl)oxirane
CID 14264958
trans-1,2-Epoxy-(z,e)-cyclododeca-5,9-diene
CID 23308884

Frequently Asked Questions

What is the IUPAC name of 2-hex-4-enyloxirane?
The IUPAC name of 2-hex-4-enyloxirane (CID 173147162) is 2-hex-4-enyloxirane.
What is the SMILES notation for 2-hex-4-enyloxirane?
The canonical SMILES for 2-hex-4-enyloxirane is CC=CCCCC1CO1.
What is the InChIKey of 2-hex-4-enyloxirane?
The InChIKey is LIPJLQXOGSUSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-2-3-4-5-6-8-7-9-8/h2-3,8H,4-7H2,1H3.
What are the key properties of 2-hex-4-enyloxirane?
2-hex-4-enyloxirane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-4-enyloxirane is sourced from PubChem (CID 173147162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).