methyl 5-trityloxypentanoate

C25H26O3 — CID 171841896

IUPACmethyl 5-trityloxypentanoate
SMILESCOC(=O)CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26O3/c1-27-24(26)19-11-12-20-28-25(21-13-5-2-6-14-21,22-15-7-3-8-16-22)23-17-9-4-10-18-23/h2-10,13-18H,11-12,19-20H2,1H3
InChIKeyCETRFTNUVSTCRU-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.34
Rot. Bonds9

About methyl 5-trityloxypentanoate

methyl 5-trityloxypentanoate (PubChem CID 171841896) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is methyl 5-trityloxypentanoate.

Molecular Properties

Compound Namemethyl 5-trityloxypentanoate
PubChem CID171841896
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Namemethyl 5-trityloxypentanoate
SMILESCOC(=O)CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26O3/c1-27-24(26)19-11-12-20-28-25(21-13-5-2-6-14-21,22-15-7-3-8-16-22)23-17-9-4-10-18-23/h2-10,13-18H,11-12,19-20H2,1H3
InChIKeyCETRFTNUVSTCRU-UHFFFAOYSA-N
XLogP5.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(5-trityloxypentoxy)pentanoic acid
CID 122573368
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
methyl (2R)-3-sulfanyl-2-(5-trityloxypentanoylamino)propanoate
CID 140966966
1-O-benzyl 8-O-methyl (2S,3S)-3-hydroxy-2-(trityloxymethyl)octanedioate
CID 10393151
4-trityloxybutyl 2-methylprop-2-enoate
CID 141487802
methyl 8-phenylmethoxyoctanoate
CID 562206
methyl 5-benzamidooxypentanoate
CID 87652749
dimethyl hexanedioate;stannane
CID 173290076
trityl hexadecanoate
CID 142645574
methyl 13-(phenylcarbamoyloxy)tridecanoate
CID 4152739
N-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide
CID 158860179
(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851

Frequently Asked Questions

What is the IUPAC name of methyl 5-trityloxypentanoate?
The IUPAC name of methyl 5-trityloxypentanoate (CID 171841896) is methyl 5-trityloxypentanoate.
What is the SMILES notation for methyl 5-trityloxypentanoate?
The canonical SMILES for methyl 5-trityloxypentanoate is COC(=O)CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 5-trityloxypentanoate?
The InChIKey is CETRFTNUVSTCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O3/c1-27-24(26)19-11-12-20-28-25(21-13-5-2-6-14-21,22-15-7-3-8-16-22)23-17-9-4-10-18-23/h2-10,13-18H,11-12,19-20H2,1H3.
What are the key properties of methyl 5-trityloxypentanoate?
methyl 5-trityloxypentanoate has a molecular weight of 374.48 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-trityloxypentanoate is sourced from PubChem (CID 171841896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).