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

C23H36O2 — CID 91147022

IUPAC2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol
SMILESCCC=CCC=CCC=CCC=CCC=CCC=CCC(CO)OC
InChIInChI=1S/C23H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(22-24)25-2/h4-5,7-8,10-11,13-14,16-17,19-20,23-24H,3,6,9,12,15,18,21-22H2,1-2H3
InChIKeyZUPZWCMJVIDFTN-UHFFFAOYSA-N
MW344.54 g/mol
LogP6.08
Rot. Bonds15

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

2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol (PubChem CID 91147022) has the molecular formula C23H36O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is 2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol.

Molecular Properties

Compound Name2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol
PubChem CID91147022
Molecular FormulaC23H36O2
Molecular Weight344.54 g/mol
Exact Mass344.27
IUPAC Name2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol
SMILESCCC=CCC=CCC=CCC=CCC=CCC=CCC(CO)OC
InChIInChI=1S/C23H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(22-24)25-2/h4-5,7-8,10-11,13-14,16-17,19-20,23-24H,3,6,9,12,15,18,21-22H2,1-2H3
InChIKeyZUPZWCMJVIDFTN-UHFFFAOYSA-N
XLogP6.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 56.08
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-ethoxydocosa-4,7,10,13,16,19-hexaen-1-ol
CID 91034555
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
1,3-dihydroxypropan-2-yl (4E,7E,10E,13E,16E,19E)-2-ethoxydocosa-4,7,10,13,16,19-hexaenoate
CID 87472677
pentadeca-3,6,9,12-tetraene
CID 123748490
(3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene
CID 10879603
ethane;2-methoxybutan-1-ol
CID 174440725
(3Z,6Z,9Z)-1,1-di(propan-2-yloxy)dodeca-3,6,9-triene
CID 10564737
6-nona-3,6-dienoyloxyoct-3-enoic acid
CID 54247799
1,3-dihydroxypropan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
CID 11674746
ethyl (2R)-2-ethyldocosa-4,7,10,13,16,19-hexaenoate
CID 91354101

Frequently Asked Questions

What is the IUPAC name of 2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol?
The IUPAC name of 2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol (CID 91147022) is 2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol.
What is the SMILES notation for 2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol?
The canonical SMILES for 2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol is CCC=CCC=CCC=CCC=CCC=CCC=CCC(CO)OC.
What is the InChIKey of 2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol?
The InChIKey is ZUPZWCMJVIDFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(22-24)25-2/h4-5,7-8,10-11,13-14,16-17,19-20,23-24H,3,6,9,12,15,18,21-22H2,1-2H3.
What are the key properties of 2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol?
2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol has a molecular weight of 344.54 g/mol, XLogP of 6.08, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol is sourced from PubChem (CID 91147022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).