(Z,16R)-16-hydroxyoctadec-9-enoic acid

C18H34O3 — CID 52950131

IUPAC(Z,16R)-16-hydroxyoctadec-9-enoic acid
SMILESCC[C@@H](O)CCCCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H34O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h3,5,17,19H,2,4,6-16H2,1H3,(H,20,21)/b5-3-/t17-/m1/s1
InChIKeyUTLBSLGWELAEAY-MAVJXHJTSA-N
MW298.47 g/mol
LogP5.08
Rot. Bonds15

About (Z,16R)-16-hydroxyoctadec-9-enoic acid

(Z,16R)-16-hydroxyoctadec-9-enoic acid (PubChem CID 52950131) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is (Z,16R)-16-hydroxyoctadec-9-enoic acid.

Molecular Properties

Compound Name(Z,16R)-16-hydroxyoctadec-9-enoic acid
PubChem CID52950131
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name(Z,16R)-16-hydroxyoctadec-9-enoic acid
SMILESCC[C@@H](O)CCCCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H34O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h3,5,17,19H,2,4,6-16H2,1H3,(H,20,21)/b5-3-/t17-/m1/s1
InChIKeyUTLBSLGWELAEAY-MAVJXHJTSA-N
XLogP5.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.08
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,16R)-16-hydroxyoctadec-9-enoic acid?
The IUPAC name of (Z,16R)-16-hydroxyoctadec-9-enoic acid (CID 52950131) is (Z,16R)-16-hydroxyoctadec-9-enoic acid.
What is the SMILES notation for (Z,16R)-16-hydroxyoctadec-9-enoic acid?
The canonical SMILES for (Z,16R)-16-hydroxyoctadec-9-enoic acid is CC[C@@H](O)CCCCC/C=C\CCCCCCCC(=O)O.
What is the InChIKey of (Z,16R)-16-hydroxyoctadec-9-enoic acid?
The InChIKey is UTLBSLGWELAEAY-MAVJXHJTSA-N. The full InChI is InChI=1S/C18H34O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h3,5,17,19H,2,4,6-16H2,1H3,(H,20,21)/b5-3-/t17-/m1/s1.
What are the key properties of (Z,16R)-16-hydroxyoctadec-9-enoic acid?
(Z,16R)-16-hydroxyoctadec-9-enoic acid has a molecular weight of 298.47 g/mol, XLogP of 5.08, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,16R)-16-hydroxyoctadec-9-enoic acid is sourced from PubChem (CID 52950131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).