docosa-2,4,7,10,13,16,19-heptaen-1-ol

C22H32O — CID 74387239

IUPACdocosa-2,4,7,10,13,16,19-heptaen-1-ol
SMILESCCC=CCC=CCC=CCC=CCC=CCC=CC=CCO
InChIInChI=1S/C22H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10,12-13,15-16,18-21,23H,2,5,8,11,14,17,22H2,1H3
InChIKeyJEKZVTITLHLONX-UHFFFAOYSA-N
MW312.50 g/mol
LogP6.23
Rot. Bonds13

About docosa-2,4,7,10,13,16,19-heptaen-1-ol

docosa-2,4,7,10,13,16,19-heptaen-1-ol (PubChem CID 74387239) has the molecular formula C22H32O and a molecular weight of 312.50 g/mol. Its IUPAC name is docosa-2,4,7,10,13,16,19-heptaen-1-ol.

Molecular Properties

Compound Namedocosa-2,4,7,10,13,16,19-heptaen-1-ol
PubChem CID74387239
Molecular FormulaC22H32O
Molecular Weight312.50 g/mol
Exact Mass312.25
IUPAC Namedocosa-2,4,7,10,13,16,19-heptaen-1-ol
SMILESCCC=CCC=CCC=CCC=CCC=CCC=CC=CCO
InChIInChI=1S/C22H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10,12-13,15-16,18-21,23H,2,5,8,11,14,17,22H2,1H3
InChIKeyJEKZVTITLHLONX-UHFFFAOYSA-N
XLogP6.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of docosa-2,4,7,10,13,16,19-heptaen-1-ol?
The IUPAC name of docosa-2,4,7,10,13,16,19-heptaen-1-ol (CID 74387239) is docosa-2,4,7,10,13,16,19-heptaen-1-ol.
What is the SMILES notation for docosa-2,4,7,10,13,16,19-heptaen-1-ol?
The canonical SMILES for docosa-2,4,7,10,13,16,19-heptaen-1-ol is CCC=CCC=CCC=CCC=CCC=CCC=CC=CCO.
What is the InChIKey of docosa-2,4,7,10,13,16,19-heptaen-1-ol?
The InChIKey is JEKZVTITLHLONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10,12-13,15-16,18-21,23H,2,5,8,11,14,17,22H2,1H3.
What are the key properties of docosa-2,4,7,10,13,16,19-heptaen-1-ol?
docosa-2,4,7,10,13,16,19-heptaen-1-ol has a molecular weight of 312.50 g/mol, XLogP of 6.23, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for docosa-2,4,7,10,13,16,19-heptaen-1-ol is sourced from PubChem (CID 74387239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).