(11Z,14Z)-icosa-1,11,14-trien-3-ol

C20H36O — CID 176937263

IUPAC(11Z,14Z)-icosa-1,11,14-trien-3-ol
SMILESC=CC(O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C20H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)4-2/h4,8-9,11-12,20-21H,2-3,5-7,10,13-19H2,1H3/b9-8-,12-11-
InChIKeyNIYYISPXJIKQKO-MURFETPASA-N
MW292.51 g/mol
LogP6.35
Rot. Bonds15

About (11Z,14Z)-icosa-1,11,14-trien-3-ol

(11Z,14Z)-icosa-1,11,14-trien-3-ol (PubChem CID 176937263) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is (11Z,14Z)-icosa-1,11,14-trien-3-ol.

Molecular Properties

Compound Name(11Z,14Z)-icosa-1,11,14-trien-3-ol
PubChem CID176937263
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name(11Z,14Z)-icosa-1,11,14-trien-3-ol
SMILESC=CC(O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C20H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)4-2/h4,8-9,11-12,20-21H,2-3,5-7,10,13-19H2,1H3/b9-8-,12-11-
InChIKeyNIYYISPXJIKQKO-MURFETPASA-N
XLogP6.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.35
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

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nonadeca-7,10,13-trien-2-ol
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hexatriaconta-6,9,12,24,27,30-hexaene
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(6Z,9Z)-nonadeca-6,9-diene
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(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(E)-2-hydroxyoctadec-9-enal
CID 88545157
henicos-7-en-6-ol
CID 91409967
(6Z,9Z,27Z,30Z)-hexatriaconta-6,9,27,30-tetraen-18-ol;(6Z,9Z,27Z,30Z)-hexatriaconta-6,9,27,30-tetraen-18-one
CID 158497587
21-hydroxytetraconta-6,9,31,34-tetraen-20-one
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CID 87651448

Frequently Asked Questions

What is the IUPAC name of (11Z,14Z)-icosa-1,11,14-trien-3-ol?
The IUPAC name of (11Z,14Z)-icosa-1,11,14-trien-3-ol (CID 176937263) is (11Z,14Z)-icosa-1,11,14-trien-3-ol.
What is the SMILES notation for (11Z,14Z)-icosa-1,11,14-trien-3-ol?
The canonical SMILES for (11Z,14Z)-icosa-1,11,14-trien-3-ol is C=CC(O)CCCCCCC/C=C\C/C=C\CCCCC.
What is the InChIKey of (11Z,14Z)-icosa-1,11,14-trien-3-ol?
The InChIKey is NIYYISPXJIKQKO-MURFETPASA-N. The full InChI is InChI=1S/C20H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)4-2/h4,8-9,11-12,20-21H,2-3,5-7,10,13-19H2,1H3/b9-8-,12-11-.
What are the key properties of (11Z,14Z)-icosa-1,11,14-trien-3-ol?
(11Z,14Z)-icosa-1,11,14-trien-3-ol has a molecular weight of 292.51 g/mol, XLogP of 6.35, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z,14Z)-icosa-1,11,14-trien-3-ol is sourced from PubChem (CID 176937263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).