4-trityliminobutan-1-ol

C23H23NO — CID 10980398

IUPAC4-trityliminobutan-1-ol
SMILESOCCC/C=N/C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO/c25-19-11-10-18-24-23(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-18,25H,10-11,19H2/b24-18+
InChIKeyZFTPJMNIRVLADL-HKOYGPOVSA-N
MW329.44 g/mol
LogP4.82
Rot. Bonds7

About 4-trityliminobutan-1-ol

4-trityliminobutan-1-ol (PubChem CID 10980398) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-trityliminobutan-1-ol.

Molecular Properties

Compound Name4-trityliminobutan-1-ol
PubChem CID10980398
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name4-trityliminobutan-1-ol
SMILESOCCC/C=N/C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO/c25-19-11-10-18-24-23(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-18,25H,10-11,19H2/b24-18+
InChIKeyZFTPJMNIRVLADL-HKOYGPOVSA-N
XLogP4.82
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-trityliminobutan-1-ol?
The IUPAC name of 4-trityliminobutan-1-ol (CID 10980398) is 4-trityliminobutan-1-ol.
What is the SMILES notation for 4-trityliminobutan-1-ol?
The canonical SMILES for 4-trityliminobutan-1-ol is OCCC/C=N/C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-trityliminobutan-1-ol?
The InChIKey is ZFTPJMNIRVLADL-HKOYGPOVSA-N. The full InChI is InChI=1S/C23H23NO/c25-19-11-10-18-24-23(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-18,25H,10-11,19H2/b24-18+.
What are the key properties of 4-trityliminobutan-1-ol?
4-trityliminobutan-1-ol has a molecular weight of 329.44 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trityliminobutan-1-ol is sourced from PubChem (CID 10980398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).