(Z)-docos-19-en-2,10,12,14,21-pentayn-1-ol

C22H24O — CID 10638233

IUPAC(Z)-docos-19-en-2,10,12,14,21-pentayn-1-ol
SMILESC#C/C=C\CCCC#CC#CC#CCCCCCCC#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/h1,3-4,23H,5-7,14-19,22H2/b4-3-
InChIKeyBNQBIHGDTJFABJ-ARJAWSKDSA-N
MW304.43 g/mol
LogP3.69
Rot. Bonds8

About (Z)-docos-19-en-2,10,12,14,21-pentayn-1-ol

(Z)-docos-19-en-2,10,12,14,21-pentayn-1-ol (PubChem CID 10638233) has the molecular formula C22H24O and a molecular weight of 304.43 g/mol. Its IUPAC name is (Z)-docos-19-en-2,10,12,14,21-pentayn-1-ol.

Molecular Properties

Compound Name(Z)-docos-19-en-2,10,12,14,21-pentayn-1-ol
PubChem CID10638233
Molecular FormulaC22H24O
Molecular Weight304.43 g/mol
Exact Mass304.18
IUPAC Name(Z)-docos-19-en-2,10,12,14,21-pentayn-1-ol
SMILESC#C/C=C\CCCC#CC#CC#CCCCCCCC#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/h1,3-4,23H,5-7,14-19,22H2/b4-3-
InChIKeyBNQBIHGDTJFABJ-ARJAWSKDSA-N
XLogP3.69
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 ≤ 53.69
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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Frequently Asked Questions

What is the IUPAC name of (Z)-docos-19-en-2,10,12,14,21-pentayn-1-ol?
The IUPAC name of (Z)-docos-19-en-2,10,12,14,21-pentayn-1-ol (CID 10638233) is (Z)-docos-19-en-2,10,12,14,21-pentayn-1-ol.
What is the SMILES notation for (Z)-docos-19-en-2,10,12,14,21-pentayn-1-ol?
The canonical SMILES for (Z)-docos-19-en-2,10,12,14,21-pentayn-1-ol is C#C/C=C\CCCC#CC#CC#CCCCCCCC#CCO.
What is the InChIKey of (Z)-docos-19-en-2,10,12,14,21-pentayn-1-ol?
The InChIKey is BNQBIHGDTJFABJ-ARJAWSKDSA-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/h1,3-4,23H,5-7,14-19,22H2/b4-3-.
What are the key properties of (Z)-docos-19-en-2,10,12,14,21-pentayn-1-ol?
(Z)-docos-19-en-2,10,12,14,21-pentayn-1-ol has a molecular weight of 304.43 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-docos-19-en-2,10,12,14,21-pentayn-1-ol is sourced from PubChem (CID 10638233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).