icosan-3-ol

C20H42O — CID 14940768

IUPACicosan-3-ol
SMILESCCCCCCCCCCCCCCCCCC(O)CC
InChIInChI=1S/C20H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)4-2/h20-21H,3-19H2,1-2H3
InChIKeyLDISFLJQNVTSEV-UHFFFAOYSA-N
MW298.56 g/mol
LogP7.02
Rot. Bonds17

About icosan-3-ol

icosan-3-ol (PubChem CID 14940768) has the molecular formula C20H42O and a molecular weight of 298.56 g/mol. Its IUPAC name is icosan-3-ol.

Molecular Properties

Compound Nameicosan-3-ol
PubChem CID14940768
Molecular FormulaC20H42O
Molecular Weight298.56 g/mol
Exact Mass298.32
IUPAC Nameicosan-3-ol
SMILESCCCCCCCCCCCCCCCCCC(O)CC
InChIInChI=1S/C20H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)4-2/h20-21H,3-19H2,1-2H3
InChIKeyLDISFLJQNVTSEV-UHFFFAOYSA-N
XLogP7.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 57.02
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

icosane-3,10-diol
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dodecan-3-ol;propane
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CID 175329168
CID 175329168
decane-3,7-diol;decan-4-ol;nonan-4-ol
CID 159957701
octan-3-ol;propan-2-ol;silane
CID 174446163
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705

Frequently Asked Questions

What is the IUPAC name of icosan-3-ol?
The IUPAC name of icosan-3-ol (CID 14940768) is icosan-3-ol.
What is the SMILES notation for icosan-3-ol?
The canonical SMILES for icosan-3-ol is CCCCCCCCCCCCCCCCCC(O)CC.
What is the InChIKey of icosan-3-ol?
The InChIKey is LDISFLJQNVTSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)4-2/h20-21H,3-19H2,1-2H3.
What are the key properties of icosan-3-ol?
icosan-3-ol has a molecular weight of 298.56 g/mol, XLogP of 7.02, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosan-3-ol is sourced from PubChem (CID 14940768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).