heptadec-1-ene-1,17-diol

C17H34O2 — CID 142730253

IUPACheptadec-1-ene-1,17-diol
SMILESOC=CCCCCCCCCCCCCCCCO
InChIInChI=1S/C17H34O2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h14,16,18-19H,1-13,15,17H2
InChIKeyHJHAVTKVUQHXLS-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.51
Rot. Bonds15

About heptadec-1-ene-1,17-diol

heptadec-1-ene-1,17-diol (PubChem CID 142730253) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is heptadec-1-ene-1,17-diol.

Molecular Properties

Compound Nameheptadec-1-ene-1,17-diol
PubChem CID142730253
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Nameheptadec-1-ene-1,17-diol
SMILESOC=CCCCCCCCCCCCCCCCO
InChIInChI=1S/C17H34O2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h14,16,18-19H,1-13,15,17H2
InChIKeyHJHAVTKVUQHXLS-UHFFFAOYSA-N
XLogP5.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.51
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

(E)-hexadec-1-ene-1,16-diol
CID 57427575
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 heptadec-1-ene-1,17-diol?
The IUPAC name of heptadec-1-ene-1,17-diol (CID 142730253) is heptadec-1-ene-1,17-diol.
What is the SMILES notation for heptadec-1-ene-1,17-diol?
The canonical SMILES for heptadec-1-ene-1,17-diol is OC=CCCCCCCCCCCCCCCCO.
What is the InChIKey of heptadec-1-ene-1,17-diol?
The InChIKey is HJHAVTKVUQHXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h14,16,18-19H,1-13,15,17H2.
What are the key properties of heptadec-1-ene-1,17-diol?
heptadec-1-ene-1,17-diol has a molecular weight of 270.46 g/mol, XLogP of 5.51, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptadec-1-ene-1,17-diol is sourced from PubChem (CID 142730253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).