(Z)-docos-19-en-2,7,13,21-tetrayn-1-ol

C22H28O — CID 10448021

IUPAC(Z)-docos-19-en-2,7,13,21-tetrayn-1-ol
SMILESC#C/C=C\CCCCC#CCCCCC#CCCCC#CCO
InChIInChI=1S/C22H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h1,3-4,23H,5-8,11-14,17-19,22H2/b4-3-
InChIKeyOZOLQBVPEIWKPL-ARJAWSKDSA-N
MW308.47 g/mol
LogP4.47
Rot. Bonds9

About (Z)-docos-19-en-2,7,13,21-tetrayn-1-ol

(Z)-docos-19-en-2,7,13,21-tetrayn-1-ol (PubChem CID 10448021) has the molecular formula C22H28O and a molecular weight of 308.47 g/mol. Its IUPAC name is (Z)-docos-19-en-2,7,13,21-tetrayn-1-ol.

Molecular Properties

Compound Name(Z)-docos-19-en-2,7,13,21-tetrayn-1-ol
PubChem CID10448021
Molecular FormulaC22H28O
Molecular Weight308.47 g/mol
Exact Mass308.21
IUPAC Name(Z)-docos-19-en-2,7,13,21-tetrayn-1-ol
SMILESC#C/C=C\CCCCC#CCCCCC#CCCCC#CCO
InChIInChI=1S/C22H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h1,3-4,23H,5-8,11-14,17-19,22H2/b4-3-
InChIKeyOZOLQBVPEIWKPL-ARJAWSKDSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.47
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
Dehydroisophonochalynol
CID 9995097
Callyspongenol C
CID 10063645
(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 (Z)-docos-19-en-2,7,13,21-tetrayn-1-ol?
The IUPAC name of (Z)-docos-19-en-2,7,13,21-tetrayn-1-ol (CID 10448021) is (Z)-docos-19-en-2,7,13,21-tetrayn-1-ol.
What is the SMILES notation for (Z)-docos-19-en-2,7,13,21-tetrayn-1-ol?
The canonical SMILES for (Z)-docos-19-en-2,7,13,21-tetrayn-1-ol is C#C/C=C\CCCCC#CCCCCC#CCCCC#CCO.
What is the InChIKey of (Z)-docos-19-en-2,7,13,21-tetrayn-1-ol?
The InChIKey is OZOLQBVPEIWKPL-ARJAWSKDSA-N. The full InChI is InChI=1S/C22H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h1,3-4,23H,5-8,11-14,17-19,22H2/b4-3-.
What are the key properties of (Z)-docos-19-en-2,7,13,21-tetrayn-1-ol?
(Z)-docos-19-en-2,7,13,21-tetrayn-1-ol has a molecular weight of 308.47 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-docos-19-en-2,7,13,21-tetrayn-1-ol is sourced from PubChem (CID 10448021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).