docosan-1-ol

C22H46O — CID 12620

💊View drug profile → docosanol
IUPACdocosan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3
InChIKeyNOPFSRXAKWQILS-UHFFFAOYSA-N
MW326.61 g/mol
LogP7.80
Rot. Bonds20

About docosan-1-ol

docosan-1-ol (PubChem CID 12620) has the molecular formula C22H46O and a molecular weight of 326.61 g/mol. Its IUPAC name is docosan-1-ol.

Molecular Properties

Compound Namedocosan-1-ol
PubChem CID12620
Molecular FormulaC22H46O
Molecular Weight326.61 g/mol
Exact Mass326.35
IUPAC Namedocosan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3
InChIKeyNOPFSRXAKWQILS-UHFFFAOYSA-N
XLogP7.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.61
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Octanol
CID 957
1-Dodecanol
CID 8193
1-Tetradecanol
CID 8209
Stearyl Alcohol
CID 8221
1-Decanol
CID 8174
Cetyl Alcohol
CID 2682
2-Octanol
CID 20083
Heptanol
CID 8129
1-Tridecanol
CID 8207
1-Undecanol
CID 8184
1-Nonanol
CID 8914
1-Heptadecanol
CID 15076

Frequently Asked Questions

What is the IUPAC name of docosan-1-ol?
The IUPAC name of docosan-1-ol (CID 12620) is docosan-1-ol.
What is the SMILES notation for docosan-1-ol?
The canonical SMILES for docosan-1-ol is CCCCCCCCCCCCCCCCCCCCCCO.
What is the InChIKey of docosan-1-ol?
The InChIKey is NOPFSRXAKWQILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3.
What are the key properties of docosan-1-ol?
docosan-1-ol has a molecular weight of 326.61 g/mol, XLogP of 7.80, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for docosan-1-ol is sourced from PubChem (CID 12620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).