(E)-heptadec-7-en-5-ol

C17H34O — CID 122442571

IUPAC(E)-heptadec-7-en-5-ol
SMILESCCCCCCCCC/C=C/CC(O)CCCC
InChIInChI=1S/C17H34O/c1-3-5-7-8-9-10-11-12-13-14-16-17(18)15-6-4-2/h13-14,17-18H,3-12,15-16H2,1-2H3/b14-13+
InChIKeyLSRWMYFXHPBFMN-BUHFOSPRSA-N
MW254.46 g/mol
LogP5.62
Rot. Bonds13

About (E)-heptadec-7-en-5-ol

(E)-heptadec-7-en-5-ol (PubChem CID 122442571) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is (E)-heptadec-7-en-5-ol.

Molecular Properties

Compound Name(E)-heptadec-7-en-5-ol
PubChem CID122442571
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name(E)-heptadec-7-en-5-ol
SMILESCCCCCCCCC/C=C/CC(O)CCCC
InChIInChI=1S/C17H34O/c1-3-5-7-8-9-10-11-12-13-14-16-17(18)15-6-4-2/h13-14,17-18H,3-12,15-16H2,1-2H3/b14-13+
InChIKeyLSRWMYFXHPBFMN-BUHFOSPRSA-N
XLogP5.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.62
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

(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
(Z)-tridec-8-en-6-ol
CID 170849340
(7Z)-hexadeca-7,11-dien-5-ol
CID 87164825
(E)-12-hydroxyoctadec-9-enal
CID 87273358
octacos-21-en-10-ol
CID 163011476
(7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one
CID 166138272
(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
12-hydroxyhenicos-14-enoic acid
CID 169277303
12-hydroxyicos-14-enoic acid
CID 169277255

Frequently Asked Questions

What is the IUPAC name of (E)-heptadec-7-en-5-ol?
The IUPAC name of (E)-heptadec-7-en-5-ol (CID 122442571) is (E)-heptadec-7-en-5-ol.
What is the SMILES notation for (E)-heptadec-7-en-5-ol?
The canonical SMILES for (E)-heptadec-7-en-5-ol is CCCCCCCCC/C=C/CC(O)CCCC.
What is the InChIKey of (E)-heptadec-7-en-5-ol?
The InChIKey is LSRWMYFXHPBFMN-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H34O/c1-3-5-7-8-9-10-11-12-13-14-16-17(18)15-6-4-2/h13-14,17-18H,3-12,15-16H2,1-2H3/b14-13+.
What are the key properties of (E)-heptadec-7-en-5-ol?
(E)-heptadec-7-en-5-ol has a molecular weight of 254.46 g/mol, XLogP of 5.62, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-heptadec-7-en-5-ol is sourced from PubChem (CID 122442571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).