1-(oxiran-2-yl)hexan-1-ol

C8H16O2 — CID 10290854

IUPAC1-(oxiran-2-yl)hexan-1-ol
SMILESCCCCCC(O)C1CO1
InChIInChI=1S/C8H16O2/c1-2-3-4-5-7(9)8-6-10-8/h7-9H,2-6H2,1H3
InChIKeyFHHJAZSGOVDVTP-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.33
Rot. Bonds5

About 1-(oxiran-2-yl)hexan-1-ol

1-(oxiran-2-yl)hexan-1-ol (PubChem CID 10290854) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-(oxiran-2-yl)hexan-1-ol.

Molecular Properties

Compound Name1-(oxiran-2-yl)hexan-1-ol
PubChem CID10290854
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-(oxiran-2-yl)hexan-1-ol
SMILESCCCCCC(O)C1CO1
InChIInChI=1S/C8H16O2/c1-2-3-4-5-7(9)8-6-10-8/h7-9H,2-6H2,1H3
InChIKeyFHHJAZSGOVDVTP-UHFFFAOYSA-N
XLogP1.33
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-yl)hexan-1-ol?
The IUPAC name of 1-(oxiran-2-yl)hexan-1-ol (CID 10290854) is 1-(oxiran-2-yl)hexan-1-ol.
What is the SMILES notation for 1-(oxiran-2-yl)hexan-1-ol?
The canonical SMILES for 1-(oxiran-2-yl)hexan-1-ol is CCCCCC(O)C1CO1.
What is the InChIKey of 1-(oxiran-2-yl)hexan-1-ol?
The InChIKey is FHHJAZSGOVDVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-3-4-5-7(9)8-6-10-8/h7-9H,2-6H2,1H3.
What are the key properties of 1-(oxiran-2-yl)hexan-1-ol?
1-(oxiran-2-yl)hexan-1-ol has a molecular weight of 144.21 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-yl)hexan-1-ol is sourced from PubChem (CID 10290854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).