3-hexadecyloxiren-2-ol

C18H34O2 — CID 139738806

IUPAC3-hexadecyloxiren-2-ol
SMILESCCCCCCCCCCCCCCCCC1=C(O)O1
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-17/h19H,2-16H2,1H3
InChIKeyFANWHUZPGXJMSB-UHFFFAOYSA-N
MW282.47 g/mol
LogP6.62
Rot. Bonds15

About 3-hexadecyloxiren-2-ol

3-hexadecyloxiren-2-ol (PubChem CID 139738806) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-hexadecyloxiren-2-ol.

Molecular Properties

Compound Name3-hexadecyloxiren-2-ol
PubChem CID139738806
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name3-hexadecyloxiren-2-ol
SMILESCCCCCCCCCCCCCCCCC1=C(O)O1
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-17/h19H,2-16H2,1H3
InChIKeyFANWHUZPGXJMSB-UHFFFAOYSA-N
XLogP6.62
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hexadecyloxiren-2-ol?
The IUPAC name of 3-hexadecyloxiren-2-ol (CID 139738806) is 3-hexadecyloxiren-2-ol.
What is the SMILES notation for 3-hexadecyloxiren-2-ol?
The canonical SMILES for 3-hexadecyloxiren-2-ol is CCCCCCCCCCCCCCCCC1=C(O)O1.
What is the InChIKey of 3-hexadecyloxiren-2-ol?
The InChIKey is FANWHUZPGXJMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-17/h19H,2-16H2,1H3.
What are the key properties of 3-hexadecyloxiren-2-ol?
3-hexadecyloxiren-2-ol has a molecular weight of 282.47 g/mol, XLogP of 6.62, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexadecyloxiren-2-ol is sourced from PubChem (CID 139738806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).