(4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol

C22H34O — CID 167993921

IUPAC(4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol
SMILESCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCO
InChIInChI=1S/C22H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10,12-13,15-16,18-19,23H,2,5,8,11,14,17,20-22H2,1H3/b4-3+,7-6+,10-9+,13-12+,16-15+,19-18-
InChIKeyABXNPXZSLCLSEO-SDFXJYFBSA-N
MW314.51 g/mol
LogP6.46
Rot. Bonds14

About (4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol

(4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol (PubChem CID 167993921) has the molecular formula C22H34O and a molecular weight of 314.51 g/mol. Its IUPAC name is (4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol.

Molecular Properties

Compound Name(4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol
PubChem CID167993921
Molecular FormulaC22H34O
Molecular Weight314.51 g/mol
Exact Mass314.26
IUPAC Name(4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol
SMILESCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCO
InChIInChI=1S/C22H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10,12-13,15-16,18-19,23H,2,5,8,11,14,17,20-22H2,1H3/b4-3+,7-6+,10-9+,13-12+,16-15+,19-18-
InChIKeyABXNPXZSLCLSEO-SDFXJYFBSA-N
XLogP6.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 56.46
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'}

Analyze (4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol with MolForge

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(3Z,6Z,9Z,12Z,15Z,18Z)-28-bromooctacosa-3,6,9,12,15,18-hexaene;(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaen-1-ol
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hex-3-en-1-ol;hex-4-en-1-ol
CID 173292659
(4E,7E)-deca-4,7-dien-1-ol;decan-1-ol;dodecan-1-ol;(4E,7E,10E)-dodeca-4,7,10-trien-1-ol;hexadecan-1-ol;(4E,7E,10E,13E)-hexadeca-4,7,10,13-tetraen-1-ol;hexan-1-ol;(E)-hex-4-en-1-ol;octan-1-ol;(E)-oct-4-en-1-ol;tetradecan-1-ol;(4E,7E,10E)-tetradeca-4,7,10-trien-1-ol
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Frequently Asked Questions

What is the IUPAC name of (4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol?
The IUPAC name of (4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol (CID 167993921) is (4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol.
What is the SMILES notation for (4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol?
The canonical SMILES for (4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol is CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCO.
What is the InChIKey of (4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol?
The InChIKey is ABXNPXZSLCLSEO-SDFXJYFBSA-N. The full InChI is InChI=1S/C22H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10,12-13,15-16,18-19,23H,2,5,8,11,14,17,20-22H2,1H3/b4-3+,7-6+,10-9+,13-12+,16-15+,19-18-.
What are the key properties of (4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol?
(4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol has a molecular weight of 314.51 g/mol, XLogP of 6.46, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol is sourced from PubChem (CID 167993921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).