(E)-heptadec-9-ene-6,7-diol

C17H34O2 — CID 173310595

IUPAC(E)-heptadec-9-ene-6,7-diol
SMILESCCCCCCC/C=C/CC(O)C(O)CCCCC
InChIInChI=1S/C17H34O2/c1-3-5-7-8-9-10-11-13-15-17(19)16(18)14-12-6-4-2/h11,13,16-19H,3-10,12,14-15H2,1-2H3/b13-11+
InChIKeyHIGKHZLUHKBIAC-ACCUITESSA-N
MW270.46 g/mol
LogP4.60
Rot. Bonds13

About (E)-heptadec-9-ene-6,7-diol

(E)-heptadec-9-ene-6,7-diol (PubChem CID 173310595) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is (E)-heptadec-9-ene-6,7-diol.

Molecular Properties

Compound Name(E)-heptadec-9-ene-6,7-diol
PubChem CID173310595
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name(E)-heptadec-9-ene-6,7-diol
SMILESCCCCCCC/C=C/CC(O)C(O)CCCCC
InChIInChI=1S/C17H34O2/c1-3-5-7-8-9-10-11-13-15-17(19)16(18)14-12-6-4-2/h11,13,16-19H,3-10,12,14-15H2,1-2H3/b13-11+
InChIKeyHIGKHZLUHKBIAC-ACCUITESSA-N
XLogP4.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(Z)-hexadec-4-ene-7,8-diol
CID 118508493
(Z)-octacos-19-ene-10,11-diol
CID 87651448
(9E)-nonadeca-9,18-diene-6,7-diol
CID 20847648
(Z)-12,13-dihydroxyoctadec-9-enoic acid
CID 10236635
(E,10S)-henicos-7-en-10-ol
CID 14607531
(Z)-octadec-10-en-8-ol
CID 173051806
(Z)-pentadec-8-en-6-ol
CID 10398809
17-aminohexatriacont-27-ene-16,18-diol
CID 123784672
(5R,6R,8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoic acid
CID 25320586
(5Z,8Z,11Z)-14,15-dihydroxyicosa-5,8,11-trienoic acid
CID 5283147
octacos-21-en-10-ol
CID 163011476
(E)-heptadec-7-en-5-ol
CID 122442571

Frequently Asked Questions

What is the IUPAC name of (E)-heptadec-9-ene-6,7-diol?
The IUPAC name of (E)-heptadec-9-ene-6,7-diol (CID 173310595) is (E)-heptadec-9-ene-6,7-diol.
What is the SMILES notation for (E)-heptadec-9-ene-6,7-diol?
The canonical SMILES for (E)-heptadec-9-ene-6,7-diol is CCCCCCC/C=C/CC(O)C(O)CCCCC.
What is the InChIKey of (E)-heptadec-9-ene-6,7-diol?
The InChIKey is HIGKHZLUHKBIAC-ACCUITESSA-N. The full InChI is InChI=1S/C17H34O2/c1-3-5-7-8-9-10-11-13-15-17(19)16(18)14-12-6-4-2/h11,13,16-19H,3-10,12,14-15H2,1-2H3/b13-11+.
What are the key properties of (E)-heptadec-9-ene-6,7-diol?
(E)-heptadec-9-ene-6,7-diol has a molecular weight of 270.46 g/mol, XLogP of 4.60, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-heptadec-9-ene-6,7-diol is sourced from PubChem (CID 173310595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).