icosan-9-ol

C20H42O — CID 11983377

IUPACicosan-9-ol
SMILESCCCCCCCCCCCC(O)CCCCCCCC
InChIInChI=1S/C20H42O/c1-3-5-7-9-11-12-13-15-17-19-20(21)18-16-14-10-8-6-4-2/h20-21H,3-19H2,1-2H3
InChIKeyONNSSMGRFLULCC-UHFFFAOYSA-N
MW298.55 g/mol
LogP7.02
Rot. Bonds17

About icosan-9-ol

icosan-9-ol (PubChem CID 11983377) has the molecular formula C20H42O and a molecular weight of 298.55 g/mol. Its IUPAC name is icosan-9-ol.

Molecular Properties

Compound Nameicosan-9-ol
PubChem CID11983377
Molecular FormulaC20H42O
Molecular Weight298.55 g/mol
Exact Mass298.32
IUPAC Nameicosan-9-ol
SMILESCCCCCCCCCCCC(O)CCCCCCCC
InChIInChI=1S/C20H42O/c1-3-5-7-9-11-12-13-15-17-19-20(21)18-16-14-10-8-6-4-2/h20-21H,3-19H2,1-2H3
InChIKeyONNSSMGRFLULCC-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 ≤ 500298.55
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

nonacosane-7,20-diol
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(7R)-hexatriacontan-7-ol
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icosan-6-ol
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hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
icosane-5,11-diol
CID 170722582
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528
icosane-5,10-diol
CID 170722579
octadecane-8,11-diol
CID 101412726

Frequently Asked Questions

What is the IUPAC name of icosan-9-ol?
The IUPAC name of icosan-9-ol (CID 11983377) is icosan-9-ol.
What is the SMILES notation for icosan-9-ol?
The canonical SMILES for icosan-9-ol is CCCCCCCCCCCC(O)CCCCCCCC.
What is the InChIKey of icosan-9-ol?
The InChIKey is ONNSSMGRFLULCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O/c1-3-5-7-9-11-12-13-15-17-19-20(21)18-16-14-10-8-6-4-2/h20-21H,3-19H2,1-2H3.
What are the key properties of icosan-9-ol?
icosan-9-ol has a molecular weight of 298.55 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-9-ol is sourced from PubChem (CID 11983377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).