(E)-heptadec-3-en-1-ol

C17H34O — CID 170849265

IUPAC(E)-heptadec-3-en-1-ol
SMILESCCCCCCCCCCCCC/C=C/CCO
InChIInChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h14-15,18H,2-13,16-17H2,1H3/b15-14+
InChIKeyWEZGOKHTNWOSKW-CCEZHUSRSA-N
MW254.46 g/mol
LogP5.63
Rot. Bonds14

About (E)-heptadec-3-en-1-ol

(E)-heptadec-3-en-1-ol (PubChem CID 170849265) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is (E)-heptadec-3-en-1-ol.

Molecular Properties

Compound Name(E)-heptadec-3-en-1-ol
PubChem CID170849265
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name(E)-heptadec-3-en-1-ol
SMILESCCCCCCCCCCCCC/C=C/CCO
InChIInChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h14-15,18H,2-13,16-17H2,1H3/b15-14+
InChIKeyWEZGOKHTNWOSKW-CCEZHUSRSA-N
XLogP5.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

heptadec-3-en-1-ol
CID 86130004
(3E,6E)-henicosa-3,6-dien-1-ol
CID 141187941
(3Z,6Z,9Z)-pentadeca-3,6,9-trien-1-ol
CID 14359702
(E)-nonadec-4-en-1-ol
CID 87881885
(E)-heptadec-5-en-1-ol
CID 170849266
henicos-10-en-1-ol
CID 86069169
(Z)-octadec-7-en-1-ol
CID 13338918
(E)-henicos-12-en-1-ol
CID 19702453
hexacos-17-en-1-ol
CID 139697197
(E)-heptadec-7-en-1-ol
CID 19790013
(5Z,11Z)-icosa-5,11-dien-1-ol
CID 51353972
octadec-9-en-1-ol
CID 8927

Frequently Asked Questions

What is the IUPAC name of (E)-heptadec-3-en-1-ol?
The IUPAC name of (E)-heptadec-3-en-1-ol (CID 170849265) is (E)-heptadec-3-en-1-ol.
What is the SMILES notation for (E)-heptadec-3-en-1-ol?
The canonical SMILES for (E)-heptadec-3-en-1-ol is CCCCCCCCCCCCC/C=C/CCO.
What is the InChIKey of (E)-heptadec-3-en-1-ol?
The InChIKey is WEZGOKHTNWOSKW-CCEZHUSRSA-N. The full InChI is InChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h14-15,18H,2-13,16-17H2,1H3/b15-14+.
What are the key properties of (E)-heptadec-3-en-1-ol?
(E)-heptadec-3-en-1-ol has a molecular weight of 254.46 g/mol, XLogP of 5.63, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-heptadec-3-en-1-ol is sourced from PubChem (CID 170849265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).