(E)-octadec-1-ene-1,4-diol

C18H36O2 — CID 87483971

IUPAC(E)-octadec-1-ene-1,4-diol
SMILESCCCCCCCCCCCCCCC(O)C/C=C/O
InChIInChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(20)16-14-17-19/h14,17-20H,2-13,15-16H2,1H3/b17-14+
InChIKeyGUQNBROHRHQIEO-SAPNQHFASA-N
MW284.48 g/mol
LogP5.90
Rot. Bonds15

About (E)-octadec-1-ene-1,4-diol

(E)-octadec-1-ene-1,4-diol (PubChem CID 87483971) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is (E)-octadec-1-ene-1,4-diol.

Molecular Properties

Compound Name(E)-octadec-1-ene-1,4-diol
PubChem CID87483971
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name(E)-octadec-1-ene-1,4-diol
SMILESCCCCCCCCCCCCCCC(O)C/C=C/O
InChIInChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(20)16-14-17-19/h14,17-20H,2-13,15-16H2,1H3/b17-14+
InChIKeyGUQNBROHRHQIEO-SAPNQHFASA-N
XLogP5.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.90
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

(Z)-tridec-2-en-5-ol
CID 11564658
(E,5S)-tridec-2-en-5-ol
CID 87621618
(Z)-octadec-10-en-8-ol
CID 173051806
(Z)-pentadec-8-en-6-ol
CID 10398809
(E,10S)-henicos-7-en-10-ol
CID 14607531
(E,7R,11R)-heptadec-8-ene-7,11-diol
CID 101453637
(4S)-1-trimethylsilyldec-1-en-4-ol
CID 71378024
(Z)-tridec-8-en-6-ol
CID 170849340
(E)-heptadec-7-en-5-ol
CID 122442571
5-hydroxyundec-2-enoic acid
CID 54094975
(4R)-dodec-1-en-4-ol
CID 11074077
3-hydroxyheptadecanal
CID 15268158

Frequently Asked Questions

What is the IUPAC name of (E)-octadec-1-ene-1,4-diol?
The IUPAC name of (E)-octadec-1-ene-1,4-diol (CID 87483971) is (E)-octadec-1-ene-1,4-diol.
What is the SMILES notation for (E)-octadec-1-ene-1,4-diol?
The canonical SMILES for (E)-octadec-1-ene-1,4-diol is CCCCCCCCCCCCCCC(O)C/C=C/O.
What is the InChIKey of (E)-octadec-1-ene-1,4-diol?
The InChIKey is GUQNBROHRHQIEO-SAPNQHFASA-N. The full InChI is InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(20)16-14-17-19/h14,17-20H,2-13,15-16H2,1H3/b17-14+.
What are the key properties of (E)-octadec-1-ene-1,4-diol?
(E)-octadec-1-ene-1,4-diol has a molecular weight of 284.48 g/mol, XLogP of 5.90, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-octadec-1-ene-1,4-diol is sourced from PubChem (CID 87483971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).