1-methoxyhenicosan-1-ol

C22H46O2 — CID 138403001

IUPAC1-methoxyhenicosan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCC(O)OC
InChIInChI=1S/C22H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h22-23H,3-21H2,1-2H3
InChIKeyYALRZZOZWMQYMX-UHFFFAOYSA-N
MW342.61 g/mol
LogP7.38
Rot. Bonds20

About 1-methoxyhenicosan-1-ol

1-methoxyhenicosan-1-ol (PubChem CID 138403001) has the molecular formula C22H46O2 and a molecular weight of 342.61 g/mol. Its IUPAC name is 1-methoxyhenicosan-1-ol.

Molecular Properties

Compound Name1-methoxyhenicosan-1-ol
PubChem CID138403001
Molecular FormulaC22H46O2
Molecular Weight342.61 g/mol
Exact Mass342.35
IUPAC Name1-methoxyhenicosan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCC(O)OC
InChIInChI=1S/C22H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h22-23H,3-21H2,1-2H3
InChIKeyYALRZZOZWMQYMX-UHFFFAOYSA-N
XLogP7.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methoxydodecan-1-ol
CID 19981343
1-methoxytetradecan-1-ol
CID 19981330
6-methoxyhexane-1,1,6-triol
CID 155462430
2-methoxynonane-1,1-diol
CID 175114695
methoxymethane;tridecane-1,1-diol
CID 18004105
ethane;bis(1-methoxybutan-1-ol)
CID 144737274
bis(1-hydroxydodecyl) carbonate
CID 141306739
1-phosphanyltridecan-1-ol
CID 174895856
1,1-dimethoxytetradecane
CID 13265409
1-phosphanylhexadecan-1-ol
CID 174908486
(5S)-5-methoxyundecane
CID 118889956
1-hydroxyoctoxyphosphonamidous acid
CID 87931231

Frequently Asked Questions

What is the IUPAC name of 1-methoxyhenicosan-1-ol?
The IUPAC name of 1-methoxyhenicosan-1-ol (CID 138403001) is 1-methoxyhenicosan-1-ol.
What is the SMILES notation for 1-methoxyhenicosan-1-ol?
The canonical SMILES for 1-methoxyhenicosan-1-ol is CCCCCCCCCCCCCCCCCCCCC(O)OC.
What is the InChIKey of 1-methoxyhenicosan-1-ol?
The InChIKey is YALRZZOZWMQYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h22-23H,3-21H2,1-2H3.
What are the key properties of 1-methoxyhenicosan-1-ol?
1-methoxyhenicosan-1-ol has a molecular weight of 342.61 g/mol, XLogP of 7.38, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyhenicosan-1-ol is sourced from PubChem (CID 138403001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).