(2S)-2-trityloxypropanal

C22H20O2 — CID 11834057

IUPAC(2S)-2-trityloxypropanal
SMILESC[C@@H](C=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O2/c1-18(17-23)24-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18H,1H3/t18-/m0/s1
InChIKeyJZBRSHYLBVFLLL-SFHVURJKSA-N
MW316.40 g/mol
LogP4.58
Rot. Bonds6

About (2S)-2-trityloxypropanal

(2S)-2-trityloxypropanal (PubChem CID 11834057) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2S)-2-trityloxypropanal.

Molecular Properties

Compound Name(2S)-2-trityloxypropanal
PubChem CID11834057
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name(2S)-2-trityloxypropanal
SMILESC[C@@H](C=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O2/c1-18(17-23)24-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18H,1H3/t18-/m0/s1
InChIKeyJZBRSHYLBVFLLL-SFHVURJKSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.58
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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Related Compounds

[but-3-en-2-yloxy(diphenyl)methyl]benzene;cyclopent-3-en-1-one
CID 70572860
(Z,5S)-3-methoxy-4-oxo-5-trityloxyhex-2-enal
CID 101479389
1-chloroethyl (2R)-2-trityloxypropanoate
CID 155219631
(2R,3R,4S)-2,4-dimethyl-3-triethylsilyloxy-5-trityloxypentanal
CID 10601557
3-hydroxy-2-methyl-3-phenylbutanal
CID 140584728
3-trityloxypropanal
CID 571223
(2S)-2-(tritylamino)propanal
CID 11723234
ditert-butyl 2-[(1S,2S)-1-hydroxy-2-trityloxypropyl]propanedioate
CID 11114188
2-trityloxypropane-1,3-diol
CID 174565269
3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid
CID 141332550
(2S)-3-methyl-2-(tritylamino)butanal
CID 139696692
2-(2-methoxyphenoxy)propanal
CID 123413169

Frequently Asked Questions

What is the IUPAC name of (2S)-2-trityloxypropanal?
The IUPAC name of (2S)-2-trityloxypropanal (CID 11834057) is (2S)-2-trityloxypropanal.
What is the SMILES notation for (2S)-2-trityloxypropanal?
The canonical SMILES for (2S)-2-trityloxypropanal is C[C@@H](C=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-trityloxypropanal?
The InChIKey is JZBRSHYLBVFLLL-SFHVURJKSA-N. The full InChI is InChI=1S/C22H20O2/c1-18(17-23)24-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18H,1H3/t18-/m0/s1.
What are the key properties of (2S)-2-trityloxypropanal?
(2S)-2-trityloxypropanal has a molecular weight of 316.40 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-trityloxypropanal is sourced from PubChem (CID 11834057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).