3-hydroxy-5-trityloxypentanal

C24H24O3 — CID 85379091

IUPAC3-hydroxy-5-trityloxypentanal
SMILESO=CCC(O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O3/c25-18-16-23(26)17-19-27-24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18,23,26H,16-17,19H2
InChIKeyKTEVUWYJSAUHCQ-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.34
Rot. Bonds9

About 3-hydroxy-5-trityloxypentanal

3-hydroxy-5-trityloxypentanal (PubChem CID 85379091) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is 3-hydroxy-5-trityloxypentanal.

Molecular Properties

Compound Name3-hydroxy-5-trityloxypentanal
PubChem CID85379091
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name3-hydroxy-5-trityloxypentanal
SMILESO=CCC(O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O3/c25-18-16-23(26)17-19-27-24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18,23,26H,16-17,19H2
InChIKeyKTEVUWYJSAUHCQ-UHFFFAOYSA-N
XLogP4.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1,5-ditrityloxypentan-3-ol
CID 140507927
1,4-ditrityloxybutan-2-ol
CID 13443283
(3S)-1-trityloxypentan-3-ol
CID 11163798
(2R)-1-amino-4-trityloxybutan-2-ol
CID 69243121
3-trityloxypropanal
CID 571223
(3R)-1-trityloxytetradecan-3-ol
CID 15104977
1-trityloxytetradecan-3-ol
CID 71342983
4-amino-N-[(2R)-2-hydroxy-4-trityloxybutyl]butanamide
CID 21023353
benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate
CID 59735285
(2S)-6-trityloxyhexane-1,2-diol
CID 100961940
4-trityloxybutane-1,3-diol
CID 14027583
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-trityloxypentanal?
The IUPAC name of 3-hydroxy-5-trityloxypentanal (CID 85379091) is 3-hydroxy-5-trityloxypentanal.
What is the SMILES notation for 3-hydroxy-5-trityloxypentanal?
The canonical SMILES for 3-hydroxy-5-trityloxypentanal is O=CCC(O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-hydroxy-5-trityloxypentanal?
The InChIKey is KTEVUWYJSAUHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c25-18-16-23(26)17-19-27-24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18,23,26H,16-17,19H2.
What are the key properties of 3-hydroxy-5-trityloxypentanal?
3-hydroxy-5-trityloxypentanal has a molecular weight of 360.45 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-trityloxypentanal is sourced from PubChem (CID 85379091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).