3-trityloxypropanal

C22H20O2 — CID 571223

IUPAC3-trityloxypropanal
SMILESO=CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O2/c23-17-10-18-24-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-17H,10,18H2
InChIKeyYVXPHNPHJLDVBV-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.58
Rot. Bonds7

About 3-trityloxypropanal

3-trityloxypropanal (PubChem CID 571223) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-trityloxypropanal.

Molecular Properties

Compound Name3-trityloxypropanal
PubChem CID571223
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name3-trityloxypropanal
SMILESO=CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O2/c23-17-10-18-24-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-17H,10,18H2
InChIKeyYVXPHNPHJLDVBV-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

lithium [but-3-enoxy(diphenyl)methyl]benzene
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1,4-ditrityloxybutan-2-ol
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1,5-ditrityloxypentan-3-ol
CID 140507927
[(E,5R,6S)-6-methyl-5-(3-oxopropyl)-8-trityloxyoct-3-en-2-yl] acetate
CID 53247792
trityloxymethanamine
CID 59526425
[diphenyl(4-prop-2-enoxybutoxy)methyl]benzene
CID 11462923
1-(trityloxymethyl)cyclopropane-1-carbaldehyde
CID 59313181
heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol
CID 159570808
[diphenyl(2-phenylmethoxyethoxy)methyl]benzene
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zinc;carbanide;[hex-5-enoxy(diphenyl)methyl]benzene
CID 134880393

Frequently Asked Questions

What is the IUPAC name of 3-trityloxypropanal?
The IUPAC name of 3-trityloxypropanal (CID 571223) is 3-trityloxypropanal.
What is the SMILES notation for 3-trityloxypropanal?
The canonical SMILES for 3-trityloxypropanal is O=CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-trityloxypropanal?
The InChIKey is YVXPHNPHJLDVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c23-17-10-18-24-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-17H,10,18H2.
What are the key properties of 3-trityloxypropanal?
3-trityloxypropanal has a molecular weight of 316.40 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trityloxypropanal is sourced from PubChem (CID 571223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).