cis-(1S,2R)-2-[(1R,2S)-2-(trityloxymethyl)cyclopropyl]cyclopropane-1-carbaldehyde

C27H26O2 — CID 10500118

IUPACcis-(1S,2R)-2-[(1R,2S)-2-(trityloxymethyl)cyclopropyl]cyclopropane-1-carbaldehyde
SMILESO=C[C@H]1C[C@@H]1[C@H]1C[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26O2/c28-18-20-16-25(20)26-17-21(26)19-29-27(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,18,20-21,25-26H,16-17,19H2/t20-,21-,25+,26+/m1/s1
InChIKeyIFRDIAWWMIQMDS-VCPRHENPSA-N
MW382.50 g/mol
LogP5.47
Rot. Bonds8

About cis-(1S,2R)-2-[(1R,2S)-2-(trityloxymethyl)cyclopropyl]cyclopropane-1-carbaldehyde

cis-(1S,2R)-2-[(1R,2S)-2-(trityloxymethyl)cyclopropyl]cyclopropane-1-carbaldehyde (PubChem CID 10500118) has the molecular formula C27H26O2 and a molecular weight of 382.50 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(1R,2S)-2-(trityloxymethyl)cyclopropyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(1R,2S)-2-(trityloxymethyl)cyclopropyl]cyclopropane-1-carbaldehyde
PubChem CID10500118
Molecular FormulaC27H26O2
Molecular Weight382.50 g/mol
Exact Mass382.19
IUPAC Namecis-(1S,2R)-2-[(1R,2S)-2-(trityloxymethyl)cyclopropyl]cyclopropane-1-carbaldehyde
SMILESO=C[C@H]1C[C@@H]1[C@H]1C[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26O2/c28-18-20-16-25(20)26-17-21(26)19-29-27(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,18,20-21,25-26H,16-17,19H2/t20-,21-,25+,26+/m1/s1
InChIKeyIFRDIAWWMIQMDS-VCPRHENPSA-N
XLogP5.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.47
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'}

Analyze cis-(1S,2R)-2-[(1R,2S)-2-(trityloxymethyl)cyclopropyl]cyclopropane-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[(1R,2S)-2-[(1S,2S)-2-ethenylcyclopropyl]cyclopropyl]methoxy-diphenylmethyl]benzene
CID 101368856
3-(trityloxymethyl)cyclobutan-1-ol
CID 14796870
(2S,4S,5R)-5-(trityloxymethyl)oxolane-2,4-diol
CID 171126516
[(1R,2R,3R,4R)-2,3-dihydroxy-4-(trityloxymethyl)cyclopentyl] acetate
CID 10025805
2-[(4R,6S)-2,2-dimethyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]acetic acid
CID 18716197
3-trityloxypropanal
CID 571223
2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol
CID 141267645
(1S,4R)-4-(trityloxymethyl)cyclopent-2-en-1-ol
CID 10021190
4-(trityloxymethyl)trioxolane
CID 19758940
2-phenyl-3-(trityloxymethyl)oxirane
CID 23443485
(3S,5S)-3-hydroxy-5-(trityloxymethyl)oxolan-2-one
CID 15478722
(5R)-1-amino-5-(trityloxymethyl)pyrrolidin-2-one
CID 95387074

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(1R,2S)-2-(trityloxymethyl)cyclopropyl]cyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1S,2R)-2-[(1R,2S)-2-(trityloxymethyl)cyclopropyl]cyclopropane-1-carbaldehyde (CID 10500118) is cis-(1S,2R)-2-[(1R,2S)-2-(trityloxymethyl)cyclopropyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1S,2R)-2-[(1R,2S)-2-(trityloxymethyl)cyclopropyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1S,2R)-2-[(1R,2S)-2-(trityloxymethyl)cyclopropyl]cyclopropane-1-carbaldehyde is O=C[C@H]1C[C@@H]1[C@H]1C[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of cis-(1S,2R)-2-[(1R,2S)-2-(trityloxymethyl)cyclopropyl]cyclopropane-1-carbaldehyde?
The InChIKey is IFRDIAWWMIQMDS-VCPRHENPSA-N. The full InChI is InChI=1S/C27H26O2/c28-18-20-16-25(20)26-17-21(26)19-29-27(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,18,20-21,25-26H,16-17,19H2/t20-,21-,25+,26+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(1R,2S)-2-(trityloxymethyl)cyclopropyl]cyclopropane-1-carbaldehyde?
cis-(1S,2R)-2-[(1R,2S)-2-(trityloxymethyl)cyclopropyl]cyclopropane-1-carbaldehyde has a molecular weight of 382.50 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(1R,2S)-2-(trityloxymethyl)cyclopropyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 10500118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).