2-hexyloxirane

C8H16O — CID 18126

IUPAC2-hexyloxirane
SMILESCCCCCCC1CO1
InChIInChI=1S/C8H16O/c1-2-3-4-5-6-8-7-9-8/h8H,2-7H2,1H3
InChIKeyNJWSNNWLBMSXQR-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.36
Rot. Bonds5

About 2-hexyloxirane

2-hexyloxirane (PubChem CID 18126) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-hexyloxirane.

Molecular Properties

Compound Name2-hexyloxirane
PubChem CID18126
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name2-hexyloxirane
SMILESCCCCCCC1CO1
InChIInChI=1S/C8H16O/c1-2-3-4-5-6-8-7-9-8/h8H,2-7H2,1H3
InChIKeyNJWSNNWLBMSXQR-UHFFFAOYSA-N
XLogP2.36
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Dodecyl glycidyl ether
CID 17163
1,2-Epoxyhexadecane
CID 23741
1,2-Epoxydodecane
CID 17858
1,2-Epoxydecane
CID 16993
1,2-Epoxytetradecane
CID 18604
Decane, 1-methoxy-
CID 23716
13-Oxabicyclo[10.1.0]tridecane
CID 9248
1,2-Epoxyoctadecane
CID 23872
1-Methoxyoctane
CID 70247
Dodecane, 1-methoxy-
CID 77032
Cyclododecane, methoxy-
CID 76334
1,2-Epoxypentadecane
CID 86768

Frequently Asked Questions

What is the IUPAC name of 2-hexyloxirane?
The IUPAC name of 2-hexyloxirane (CID 18126) is 2-hexyloxirane.
What is the SMILES notation for 2-hexyloxirane?
The canonical SMILES for 2-hexyloxirane is CCCCCCC1CO1.
What is the InChIKey of 2-hexyloxirane?
The InChIKey is NJWSNNWLBMSXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-2-3-4-5-6-8-7-9-8/h8H,2-7H2,1H3.
What are the key properties of 2-hexyloxirane?
2-hexyloxirane has a molecular weight of 128.22 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyloxirane is sourced from PubChem (CID 18126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).