2-ethoxydocosa-4,7,10,13,16,19-hexaen-1-ol

C24H38O2 — CID 91034555

IUPAC2-ethoxydocosa-4,7,10,13,16,19-hexaen-1-ol
SMILESCCC=CCC=CCC=CCC=CCC=CCC=CCC(CO)OCC
InChIInChI=1S/C24H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(23-25)26-4-2/h5-6,8-9,11-12,14-15,17-18,20-21,24-25H,3-4,7,10,13,16,19,22-23H2,1-2H3
InChIKeyMCQCKDDWJGZUIU-UHFFFAOYSA-N
MW358.57 g/mol
LogP6.47
Rot. Bonds16

About 2-ethoxydocosa-4,7,10,13,16,19-hexaen-1-ol

2-ethoxydocosa-4,7,10,13,16,19-hexaen-1-ol (PubChem CID 91034555) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is 2-ethoxydocosa-4,7,10,13,16,19-hexaen-1-ol.

Molecular Properties

Compound Name2-ethoxydocosa-4,7,10,13,16,19-hexaen-1-ol
PubChem CID91034555
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Name2-ethoxydocosa-4,7,10,13,16,19-hexaen-1-ol
SMILESCCC=CCC=CCC=CCC=CCC=CCC=CCC(CO)OCC
InChIInChI=1S/C24H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(23-25)26-4-2/h5-6,8-9,11-12,14-15,17-18,20-21,24-25H,3-4,7,10,13,16,19,22-23H2,1-2H3
InChIKeyMCQCKDDWJGZUIU-UHFFFAOYSA-N
XLogP6.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z,7Z,10Z,13Z,16Z,19Z)-2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol
CID 25122253
2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol
CID 91147022
1,3-dihydroxypropan-2-yl (4E,7E,10E,13E,16E,19E)-2-ethoxydocosa-4,7,10,13,16,19-hexaenoate
CID 87472677
(3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene
CID 10879603
1,3-dihydroxypropan-2-yl (4E,7E,10E,13E,16E,19E)-2-ethyldocosa-4,7,10,13,16,19-hexaenoate
CID 42605702
1,3-dihydroxypropan-2-yl (4E,7E,10E,13E,16E,19E)-2-propyldocosa-4,7,10,13,16,19-hexaenoate
CID 87473933
(2S)-2-ethoxybutan-1-ol
CID 89167253
pentadeca-3,6,9,12-tetraene
CID 123748490
ethyl (2R)-2-ethyldocosa-4,7,10,13,16,19-hexaenoate
CID 91354101
carbonic acid;2-ethoxypropane-1,3-diol
CID 175422223
(2S)-2-ethoxybutane-1,4-diol
CID 89342985
(2E,4Z,7Z)-1,1-diethoxydeca-2,4,7-triene
CID 87787384

Frequently Asked Questions

What is the IUPAC name of 2-ethoxydocosa-4,7,10,13,16,19-hexaen-1-ol?
The IUPAC name of 2-ethoxydocosa-4,7,10,13,16,19-hexaen-1-ol (CID 91034555) is 2-ethoxydocosa-4,7,10,13,16,19-hexaen-1-ol.
What is the SMILES notation for 2-ethoxydocosa-4,7,10,13,16,19-hexaen-1-ol?
The canonical SMILES for 2-ethoxydocosa-4,7,10,13,16,19-hexaen-1-ol is CCC=CCC=CCC=CCC=CCC=CCC=CCC(CO)OCC.
What is the InChIKey of 2-ethoxydocosa-4,7,10,13,16,19-hexaen-1-ol?
The InChIKey is MCQCKDDWJGZUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(23-25)26-4-2/h5-6,8-9,11-12,14-15,17-18,20-21,24-25H,3-4,7,10,13,16,19,22-23H2,1-2H3.
What are the key properties of 2-ethoxydocosa-4,7,10,13,16,19-hexaen-1-ol?
2-ethoxydocosa-4,7,10,13,16,19-hexaen-1-ol has a molecular weight of 358.57 g/mol, XLogP of 6.47, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxydocosa-4,7,10,13,16,19-hexaen-1-ol is sourced from PubChem (CID 91034555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).