(Z,7R)-17-(1H-imidazol-2-yl)heptadec-9-en-7-ol

C20H36N2O — CID 42604660

IUPAC(Z,7R)-17-(1H-imidazol-2-yl)heptadec-9-en-7-ol
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCc1ncc[nH]1
InChIInChI=1S/C20H36N2O/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-20-21-17-18-22-20/h9,12,17-19,23H,2-8,10-11,13-16H2,1H3,(H,21,22)/b12-9-/t19-/m1/s1
InChIKeyHPJYSFFAWIWOOG-UZRURVBFSA-N
MW320.52 g/mol
LogP5.57
Rot. Bonds15

About (Z,7R)-17-(1H-imidazol-2-yl)heptadec-9-en-7-ol

(Z,7R)-17-(1H-imidazol-2-yl)heptadec-9-en-7-ol (PubChem CID 42604660) has the molecular formula C20H36N2O and a molecular weight of 320.52 g/mol. Its IUPAC name is (Z,7R)-17-(1H-imidazol-2-yl)heptadec-9-en-7-ol.

Molecular Properties

Compound Name(Z,7R)-17-(1H-imidazol-2-yl)heptadec-9-en-7-ol
PubChem CID42604660
Molecular FormulaC20H36N2O
Molecular Weight320.52 g/mol
Exact Mass320.28
IUPAC Name(Z,7R)-17-(1H-imidazol-2-yl)heptadec-9-en-7-ol
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCc1ncc[nH]1
InChIInChI=1S/C20H36N2O/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-20-21-17-18-22-20/h9,12,17-19,23H,2-8,10-11,13-16H2,1H3,(H,21,22)/b12-9-/t19-/m1/s1
InChIKeyHPJYSFFAWIWOOG-UZRURVBFSA-N
XLogP5.57
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 55.57
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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Frequently Asked Questions

What is the IUPAC name of (Z,7R)-17-(1H-imidazol-2-yl)heptadec-9-en-7-ol?
The IUPAC name of (Z,7R)-17-(1H-imidazol-2-yl)heptadec-9-en-7-ol (CID 42604660) is (Z,7R)-17-(1H-imidazol-2-yl)heptadec-9-en-7-ol.
What is the SMILES notation for (Z,7R)-17-(1H-imidazol-2-yl)heptadec-9-en-7-ol?
The canonical SMILES for (Z,7R)-17-(1H-imidazol-2-yl)heptadec-9-en-7-ol is CCCCCC[C@@H](O)C/C=C\CCCCCCCc1ncc[nH]1.
What is the InChIKey of (Z,7R)-17-(1H-imidazol-2-yl)heptadec-9-en-7-ol?
The InChIKey is HPJYSFFAWIWOOG-UZRURVBFSA-N. The full InChI is InChI=1S/C20H36N2O/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-20-21-17-18-22-20/h9,12,17-19,23H,2-8,10-11,13-16H2,1H3,(H,21,22)/b12-9-/t19-/m1/s1.
What are the key properties of (Z,7R)-17-(1H-imidazol-2-yl)heptadec-9-en-7-ol?
(Z,7R)-17-(1H-imidazol-2-yl)heptadec-9-en-7-ol has a molecular weight of 320.52 g/mol, XLogP of 5.57, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,7R)-17-(1H-imidazol-2-yl)heptadec-9-en-7-ol is sourced from PubChem (CID 42604660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).