tricosane-1,2-diol

C23H48O2 — CID 42607324

IUPACtricosane-1,2-diol
SMILESCCCCCCCCCCCCCCCCCCCCCC(O)CO
InChIInChI=1S/C23H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24/h23-25H,2-22H2,1H3
InChIKeyNQLZSOFWYPHLBE-UHFFFAOYSA-N
MW356.64 g/mol
LogP7.16
Rot. Bonds21

About tricosane-1,2-diol

tricosane-1,2-diol (PubChem CID 42607324) has the molecular formula C23H48O2 and a molecular weight of 356.64 g/mol. Its IUPAC name is tricosane-1,2-diol.

Molecular Properties

Compound Nametricosane-1,2-diol
PubChem CID42607324
Molecular FormulaC23H48O2
Molecular Weight356.64 g/mol
Exact Mass356.37
IUPAC Nametricosane-1,2-diol
SMILESCCCCCCCCCCCCCCCCCCCCCC(O)CO
InChIInChI=1S/C23H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24/h23-25H,2-22H2,1H3
InChIKeyNQLZSOFWYPHLBE-UHFFFAOYSA-N
XLogP7.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-nonadecane-1,2-diol
CID 124511707
(2R)-octane-1,2-diol
CID 6994435
(2R)-decane-1,2-diol
CID 10888425
triacontane-1,2-diol
CID 19770548
octane-1,2-diol
CID 159791136
CID 158891282
CID 158891282
decane-1,10-diol;nonane-1,2-diol
CID 174889231
carbonic acid;octane-1,2-diol
CID 87196944
acetic acid;octane-1,2-diol
CID 71443933
hexane-1,1-diol;hexane-1,2-diol
CID 158152715
octadec-9-ene-1,2-diol
CID 139720566
ethanol;nonacosan-10-ol
CID 87536381

Frequently Asked Questions

What is the IUPAC name of tricosane-1,2-diol?
The IUPAC name of tricosane-1,2-diol (CID 42607324) is tricosane-1,2-diol.
What is the SMILES notation for tricosane-1,2-diol?
The canonical SMILES for tricosane-1,2-diol is CCCCCCCCCCCCCCCCCCCCCC(O)CO.
What is the InChIKey of tricosane-1,2-diol?
The InChIKey is NQLZSOFWYPHLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24/h23-25H,2-22H2,1H3.
What are the key properties of tricosane-1,2-diol?
tricosane-1,2-diol has a molecular weight of 356.64 g/mol, XLogP of 7.16, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricosane-1,2-diol is sourced from PubChem (CID 42607324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).