(E)-hexadec-1-ene-1,16-diol

C16H32O2 — CID 57427575

IUPAC(E)-hexadec-1-ene-1,16-diol
SMILESO/C=C/CCCCCCCCCCCCCCO
InChIInChI=1S/C16H32O2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h13,15,17-18H,1-12,14,16H2/b15-13+
InChIKeyQILZKVKOYZPEQK-FYWRMAATSA-N
MW256.43 g/mol
LogP5.12
Rot. Bonds14

About (E)-hexadec-1-ene-1,16-diol

(E)-hexadec-1-ene-1,16-diol (PubChem CID 57427575) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is (E)-hexadec-1-ene-1,16-diol.

Molecular Properties

Compound Name(E)-hexadec-1-ene-1,16-diol
PubChem CID57427575
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name(E)-hexadec-1-ene-1,16-diol
SMILESO/C=C/CCCCCCCCCCCCCCO
InChIInChI=1S/C16H32O2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h13,15,17-18H,1-12,14,16H2/b15-13+
InChIKeyQILZKVKOYZPEQK-FYWRMAATSA-N
XLogP5.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

heptadec-1-ene-1,17-diol
CID 142730253
sodium;(E)-hept-1-ene-1,7-diol;hydride
CID 174548415
hexadec-8-ene-1,16-diol
CID 54395986
(7Z,11Z)-octadeca-7,11-diene-1,18-diol
CID 171904791
(E)-pentacos-1-en-1-ol
CID 135335589
8-chlorooct-7-en-1-ol
CID 57208021
(Z)-pentadec-1-en-1-ol
CID 135331786
octadeca-9,17-dien-1-ol
CID 78409331
(E)-heptadec-7-en-1-ol
CID 19790013
(5Z,11Z)-icosa-5,11-dien-1-ol
CID 51353972
(E)-heptadec-12-en-1-ol
CID 87814318
henicos-10-en-1-ol
CID 86069169

Frequently Asked Questions

What is the IUPAC name of (E)-hexadec-1-ene-1,16-diol?
The IUPAC name of (E)-hexadec-1-ene-1,16-diol (CID 57427575) is (E)-hexadec-1-ene-1,16-diol.
What is the SMILES notation for (E)-hexadec-1-ene-1,16-diol?
The canonical SMILES for (E)-hexadec-1-ene-1,16-diol is O/C=C/CCCCCCCCCCCCCCO.
What is the InChIKey of (E)-hexadec-1-ene-1,16-diol?
The InChIKey is QILZKVKOYZPEQK-FYWRMAATSA-N. The full InChI is InChI=1S/C16H32O2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h13,15,17-18H,1-12,14,16H2/b15-13+.
What are the key properties of (E)-hexadec-1-ene-1,16-diol?
(E)-hexadec-1-ene-1,16-diol has a molecular weight of 256.43 g/mol, XLogP of 5.12, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hexadec-1-ene-1,16-diol is sourced from PubChem (CID 57427575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).