(3E,21E)-tricosa-3,21-dien-4-ol

C23H44O — CID 174283265

IUPAC(3E,21E)-tricosa-3,21-dien-4-ol
SMILESC/C=C/CCCCCCCCCCCCCCCC/C(O)=C\CC
InChIInChI=1S/C23H44O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(24)21-4-2/h3,5,21,24H,4,6-20,22H2,1-2H3/b5-3+,23-21+
InChIKeyXGSHCASVYBXRDT-GZBCJVBHSA-N
MW336.60 g/mol
LogP8.66
Rot. Bonds18

About (3E,21E)-tricosa-3,21-dien-4-ol

(3E,21E)-tricosa-3,21-dien-4-ol (PubChem CID 174283265) has the molecular formula C23H44O and a molecular weight of 336.60 g/mol. Its IUPAC name is (3E,21E)-tricosa-3,21-dien-4-ol.

Molecular Properties

Compound Name(3E,21E)-tricosa-3,21-dien-4-ol
PubChem CID174283265
Molecular FormulaC23H44O
Molecular Weight336.60 g/mol
Exact Mass336.34
IUPAC Name(3E,21E)-tricosa-3,21-dien-4-ol
SMILESC/C=C/CCCCCCCCCCCCCCCC/C(O)=C\CC
InChIInChI=1S/C23H44O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(24)21-4-2/h3,5,21,24H,4,6-20,22H2,1-2H3/b5-3+,23-21+
InChIKeyXGSHCASVYBXRDT-GZBCJVBHSA-N
XLogP8.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.60
LogP ≤ 58.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 131839811
(3Z)-hexadeca-3,15-dien-4-ol
CID 154698399
octatriacont-11-en-12-ol
CID 156905019
hexatriacont-17-en-18-ol
CID 173290872
icosa-2,10,18-triene
CID 74063823
hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244
[(E)-17-hydroxyicos-17-enyl]azanide;methanol;tungsten
CID 177221584
nona-1,7-dien-2-ol
CID 172729481
(Z)-icos-2-ene
CID 5352524
(2Z,19Z)-henicosa-2,19-dien-11-one
CID 170029762
(E)-undec-9-en-3-one
CID 22074109

Frequently Asked Questions

What is the IUPAC name of (3E,21E)-tricosa-3,21-dien-4-ol?
The IUPAC name of (3E,21E)-tricosa-3,21-dien-4-ol (CID 174283265) is (3E,21E)-tricosa-3,21-dien-4-ol.
What is the SMILES notation for (3E,21E)-tricosa-3,21-dien-4-ol?
The canonical SMILES for (3E,21E)-tricosa-3,21-dien-4-ol is C/C=C/CCCCCCCCCCCCCCCC/C(O)=C\CC.
What is the InChIKey of (3E,21E)-tricosa-3,21-dien-4-ol?
The InChIKey is XGSHCASVYBXRDT-GZBCJVBHSA-N. The full InChI is InChI=1S/C23H44O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(24)21-4-2/h3,5,21,24H,4,6-20,22H2,1-2H3/b5-3+,23-21+.
What are the key properties of (3E,21E)-tricosa-3,21-dien-4-ol?
(3E,21E)-tricosa-3,21-dien-4-ol has a molecular weight of 336.60 g/mol, XLogP of 8.66, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,21E)-tricosa-3,21-dien-4-ol is sourced from PubChem (CID 174283265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).