(E,5R)-octadec-6-en-5-ol

C18H36O — CID 163186813

IUPAC(E,5R)-octadec-6-en-5-ol
SMILESCCCCCCCCCCC/C=C/[C@H](O)CCCC
InChIInChI=1S/C18H36O/c1-3-5-7-8-9-10-11-12-13-14-15-17-18(19)16-6-4-2/h15,17-19H,3-14,16H2,1-2H3/b17-15+/t18-/m1/s1
InChIKeyKGMZHYFEPXCLEC-WBWKYDSYSA-N
MW268.48 g/mol
LogP6.01
Rot. Bonds14

About (E,5R)-octadec-6-en-5-ol

(E,5R)-octadec-6-en-5-ol (PubChem CID 163186813) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is (E,5R)-octadec-6-en-5-ol.

Molecular Properties

Compound Name(E,5R)-octadec-6-en-5-ol
PubChem CID163186813
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name(E,5R)-octadec-6-en-5-ol
SMILESCCCCCCCCCCC/C=C/[C@H](O)CCCC
InChIInChI=1S/C18H36O/c1-3-5-7-8-9-10-11-12-13-14-15-17-18(19)16-6-4-2/h15,17-19H,3-14,16H2,1-2H3/b17-15+/t18-/m1/s1
InChIKeyKGMZHYFEPXCLEC-WBWKYDSYSA-N
XLogP6.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 56.01
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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Frequently Asked Questions

What is the IUPAC name of (E,5R)-octadec-6-en-5-ol?
The IUPAC name of (E,5R)-octadec-6-en-5-ol (CID 163186813) is (E,5R)-octadec-6-en-5-ol.
What is the SMILES notation for (E,5R)-octadec-6-en-5-ol?
The canonical SMILES for (E,5R)-octadec-6-en-5-ol is CCCCCCCCCCC/C=C/[C@H](O)CCCC.
What is the InChIKey of (E,5R)-octadec-6-en-5-ol?
The InChIKey is KGMZHYFEPXCLEC-WBWKYDSYSA-N. The full InChI is InChI=1S/C18H36O/c1-3-5-7-8-9-10-11-12-13-14-15-17-18(19)16-6-4-2/h15,17-19H,3-14,16H2,1-2H3/b17-15+/t18-/m1/s1.
What are the key properties of (E,5R)-octadec-6-en-5-ol?
(E,5R)-octadec-6-en-5-ol has a molecular weight of 268.48 g/mol, XLogP of 6.01, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-octadec-6-en-5-ol is sourced from PubChem (CID 163186813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).