trityl cyclopropanecarboxylate

C23H20O2 — CID 75455178

IUPACtrityl cyclopropanecarboxylate
SMILESO=C(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CC1
InChIInChI=1S/C23H20O2/c24-22(18-16-17-18)25-23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18H,16-17H2
InChIKeyAVNZNFCVVJNLPI-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.93
Rot. Bonds5

About trityl cyclopropanecarboxylate

trityl cyclopropanecarboxylate (PubChem CID 75455178) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is trityl cyclopropanecarboxylate.

Molecular Properties

Compound Nametrityl cyclopropanecarboxylate
PubChem CID75455178
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Nametrityl cyclopropanecarboxylate
SMILESO=C(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CC1
InChIInChI=1S/C23H20O2/c24-22(18-16-17-18)25-23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18H,16-17H2
InChIKeyAVNZNFCVVJNLPI-UHFFFAOYSA-N
XLogP4.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trityl cyclopropanecarboxylate?
The IUPAC name of trityl cyclopropanecarboxylate (CID 75455178) is trityl cyclopropanecarboxylate.
What is the SMILES notation for trityl cyclopropanecarboxylate?
The canonical SMILES for trityl cyclopropanecarboxylate is O=C(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CC1.
What is the InChIKey of trityl cyclopropanecarboxylate?
The InChIKey is AVNZNFCVVJNLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c24-22(18-16-17-18)25-23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18H,16-17H2.
What are the key properties of trityl cyclopropanecarboxylate?
trityl cyclopropanecarboxylate has a molecular weight of 328.41 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trityl cyclopropanecarboxylate is sourced from PubChem (CID 75455178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).