1-(trityloxymethyl)cyclopropane-1-carbaldehyde

C24H22O2 — CID 59313181

IUPAC1-(trityloxymethyl)cyclopropane-1-carbaldehyde
SMILESO=CC1(COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H22O2/c25-18-23(16-17-23)19-26-24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18H,16-17,19H2
InChIKeySFKZPLVGSLLXQE-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.97
Rot. Bonds7

About 1-(trityloxymethyl)cyclopropane-1-carbaldehyde

1-(trityloxymethyl)cyclopropane-1-carbaldehyde (PubChem CID 59313181) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(trityloxymethyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(trityloxymethyl)cyclopropane-1-carbaldehyde
PubChem CID59313181
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name1-(trityloxymethyl)cyclopropane-1-carbaldehyde
SMILESO=CC1(COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H22O2/c25-18-23(16-17-23)19-26-24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18H,16-17,19H2
InChIKeySFKZPLVGSLLXQE-UHFFFAOYSA-N
XLogP4.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(trityloxymethyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(trityloxymethyl)cyclopropane-1-carbaldehyde (CID 59313181) is 1-(trityloxymethyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(trityloxymethyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(trityloxymethyl)cyclopropane-1-carbaldehyde is O=CC1(COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(trityloxymethyl)cyclopropane-1-carbaldehyde?
The InChIKey is SFKZPLVGSLLXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2/c25-18-23(16-17-23)19-26-24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18H,16-17,19H2.
What are the key properties of 1-(trityloxymethyl)cyclopropane-1-carbaldehyde?
1-(trityloxymethyl)cyclopropane-1-carbaldehyde has a molecular weight of 342.44 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trityloxymethyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 59313181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).