(4Z,13Z,19Z)-docosa-4,13,19-trien-2,9,11,21-tetrayn-1-ol

C22H24O — CID 10063645

IUPAC(4Z,13Z,19Z)-docosa-4,13,19-trien-2,9,11,21-tetrayn-1-ol
SMILESC#C/C=C\CCCC/C=C\C#CC#CCCC/C=C\C#CCO
InChIInChI=1S/C22H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h1,3-4,9-10,18-19,23H,5-8,15-17,22H2/b4-3-,10-9-,19-18-
InChIKeyXCLAUSBLXUZFRL-FNASMSCBSA-N
MW304.43 g/mol
LogP4.02
Rot. Bonds8

About (4Z,13Z,19Z)-docosa-4,13,19-trien-2,9,11,21-tetrayn-1-ol

(4Z,13Z,19Z)-docosa-4,13,19-trien-2,9,11,21-tetrayn-1-ol (PubChem CID 10063645) has the molecular formula C22H24O and a molecular weight of 304.43 g/mol. Its IUPAC name is (4Z,13Z,19Z)-docosa-4,13,19-trien-2,9,11,21-tetrayn-1-ol.

Molecular Properties

Compound Name(4Z,13Z,19Z)-docosa-4,13,19-trien-2,9,11,21-tetrayn-1-ol
PubChem CID10063645
Molecular FormulaC22H24O
Molecular Weight304.43 g/mol
Exact Mass304.18
IUPAC Name(4Z,13Z,19Z)-docosa-4,13,19-trien-2,9,11,21-tetrayn-1-ol
SMILESC#C/C=C\CCCC/C=C\C#CC#CCCC/C=C\C#CCO
InChIInChI=1S/C22H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h1,3-4,9-10,18-19,23H,5-8,15-17,22H2/b4-3-,10-9-,19-18-
InChIKeyXCLAUSBLXUZFRL-FNASMSCBSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 10357825
Callyspongenol A
CID 10448021
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CID 9995097
(3S)-16,17-Didehydrofalcarinol
CID 5469785
(3S,9Z)-hexadeca-1,9,15-trien-4,6-diyn-3-ol
CID 162660711
(9Z)-heptadeca-1,9,16-trien-4,6-diyn-3-ol
CID 5316447
(9Z)-heptadeca-9,16-dien-4,6-diyn-3-ol
CID 162665167
(2Z,9Z)-pentadecadiene-4,6-diyn-1-ol
CID 14841162
Dehydrofalcarinol
CID 13895593
Callyspongenol D
CID 86287599
(9Z)-9-Heptadecene-4,6-diyne-1-ol
CID 44360001
(Z)-docos-19-en-2,10,12,14,21-pentayn-1-ol
CID 10638233

Frequently Asked Questions

What is the IUPAC name of (4Z,13Z,19Z)-docosa-4,13,19-trien-2,9,11,21-tetrayn-1-ol?
The IUPAC name of (4Z,13Z,19Z)-docosa-4,13,19-trien-2,9,11,21-tetrayn-1-ol (CID 10063645) is (4Z,13Z,19Z)-docosa-4,13,19-trien-2,9,11,21-tetrayn-1-ol.
What is the SMILES notation for (4Z,13Z,19Z)-docosa-4,13,19-trien-2,9,11,21-tetrayn-1-ol?
The canonical SMILES for (4Z,13Z,19Z)-docosa-4,13,19-trien-2,9,11,21-tetrayn-1-ol is C#C/C=C\CCCC/C=C\C#CC#CCCC/C=C\C#CCO.
What is the InChIKey of (4Z,13Z,19Z)-docosa-4,13,19-trien-2,9,11,21-tetrayn-1-ol?
The InChIKey is XCLAUSBLXUZFRL-FNASMSCBSA-N. The full InChI is InChI=1S/C22H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h1,3-4,9-10,18-19,23H,5-8,15-17,22H2/b4-3-,10-9-,19-18-.
What are the key properties of (4Z,13Z,19Z)-docosa-4,13,19-trien-2,9,11,21-tetrayn-1-ol?
(4Z,13Z,19Z)-docosa-4,13,19-trien-2,9,11,21-tetrayn-1-ol has a molecular weight of 304.43 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,13Z,19Z)-docosa-4,13,19-trien-2,9,11,21-tetrayn-1-ol is sourced from PubChem (CID 10063645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).