2-ethylicosa-2,11,14,17-tetraen-1-ol

C22H38O — CID 74388131

IUPAC2-ethylicosa-2,11,14,17-tetraen-1-ol
SMILESCCC=CCC=CCC=CCCCCCCCC=C(CC)CO
InChIInChI=1S/C22H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(4-2)21-23/h5-6,8-9,11-12,20,23H,3-4,7,10,13-19,21H2,1-2H3
InChIKeyLOZLHQZSLNIRIP-UHFFFAOYSA-N
MW318.55 g/mol
LogP6.90
Rot. Bonds15

About 2-ethylicosa-2,11,14,17-tetraen-1-ol

2-ethylicosa-2,11,14,17-tetraen-1-ol (PubChem CID 74388131) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is 2-ethylicosa-2,11,14,17-tetraen-1-ol.

Molecular Properties

Compound Name2-ethylicosa-2,11,14,17-tetraen-1-ol
PubChem CID74388131
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Name2-ethylicosa-2,11,14,17-tetraen-1-ol
SMILESCCC=CCC=CCC=CCCCCCCCC=C(CC)CO
InChIInChI=1S/C22H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(4-2)21-23/h5-6,8-9,11-12,20,23H,3-4,7,10,13-19,21H2,1-2H3
InChIKeyLOZLHQZSLNIRIP-UHFFFAOYSA-N
XLogP6.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

henicosa-6,9,12,15,18-pentaen-1-ol
CID 90716675
(Z)-2-ethyldec-2-en-1-ol
CID 13479207
(9E,12E,15E)-octadeca-9,12,15-trien-1-ol
CID 5367327
2-ethyloct-2-en-1-ol
CID 54080127
tetradeca-5,8,11-trien-1-ol
CID 165176373
(14Z,17Z,20Z,23Z,26Z,29Z)-3,3-dideuteriodotriaconta-14,17,20,23,26,29-hexaen-1-ol
CID 162744110
(4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol
CID 167993921
hexadeca-3,6,9-triene
CID 56627141
henicosa-3,6-diene
CID 72727393
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
(3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol
CID 121330977

Frequently Asked Questions

What is the IUPAC name of 2-ethylicosa-2,11,14,17-tetraen-1-ol?
The IUPAC name of 2-ethylicosa-2,11,14,17-tetraen-1-ol (CID 74388131) is 2-ethylicosa-2,11,14,17-tetraen-1-ol.
What is the SMILES notation for 2-ethylicosa-2,11,14,17-tetraen-1-ol?
The canonical SMILES for 2-ethylicosa-2,11,14,17-tetraen-1-ol is CCC=CCC=CCC=CCCCCCCCC=C(CC)CO.
What is the InChIKey of 2-ethylicosa-2,11,14,17-tetraen-1-ol?
The InChIKey is LOZLHQZSLNIRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(4-2)21-23/h5-6,8-9,11-12,20,23H,3-4,7,10,13-19,21H2,1-2H3.
What are the key properties of 2-ethylicosa-2,11,14,17-tetraen-1-ol?
2-ethylicosa-2,11,14,17-tetraen-1-ol has a molecular weight of 318.55 g/mol, XLogP of 6.90, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylicosa-2,11,14,17-tetraen-1-ol is sourced from PubChem (CID 74388131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).