5-(5-trityloxypentoxy)pentanoic acid

C29H34O4 — CID 122573368

IUPAC5-(5-trityloxypentoxy)pentanoic acid
SMILESO=C(O)CCCCOCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34O4/c30-28(31)21-11-14-23-32-22-12-4-13-24-33-29(25-15-5-1-6-16-25,26-17-7-2-8-18-26)27-19-9-3-10-20-27/h1-3,5-10,15-20H,4,11-14,21-24H2,(H,30,31)
InChIKeyQPLWZOCIGMGFTR-UHFFFAOYSA-N
MW446.59 g/mol
LogP6.44
Rot. Bonds15

About 5-(5-trityloxypentoxy)pentanoic acid

5-(5-trityloxypentoxy)pentanoic acid (PubChem CID 122573368) has the molecular formula C29H34O4 and a molecular weight of 446.59 g/mol. Its IUPAC name is 5-(5-trityloxypentoxy)pentanoic acid.

Molecular Properties

Compound Name5-(5-trityloxypentoxy)pentanoic acid
PubChem CID122573368
Molecular FormulaC29H34O4
Molecular Weight446.59 g/mol
Exact Mass446.25
IUPAC Name5-(5-trityloxypentoxy)pentanoic acid
SMILESO=C(O)CCCCOCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34O4/c30-28(31)21-11-14-23-32-22-12-4-13-24-33-29(25-15-5-1-6-16-25,26-17-7-2-8-18-26)27-19-9-3-10-20-27/h1-3,5-10,15-20H,4,11-14,21-24H2,(H,30,31)
InChIKeyQPLWZOCIGMGFTR-UHFFFAOYSA-N
XLogP6.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 56.44
H-Bond Donors ≤ 51
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

methyl 5-trityloxypentanoate
CID 171841896
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CID 54451752
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
8-(3-carboxypropoxy)octanoic acid
CID 154155651
4-[amino(diphenyl)methoxy]butanoic acid
CID 23216391
[diphenyl(4-prop-2-enoxybutoxy)methyl]benzene
CID 11462923
2-(6-trityloxyhexoxymethyl)but-2-en-1-ol
CID 70439044
1-hexadecoxy-3-trityloxypropan-2-one
CID 21299162
9-phenoxynonanoic acid
CID 15887638
9-[(2S)-3-hydroxy-1-trityloxynonadecan-2-yl]oxynonanoic acid
CID 69043756
4-trityloxybutyl 2-methylprop-2-enoate
CID 141487802
9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
CID 18795798

Frequently Asked Questions

What is the IUPAC name of 5-(5-trityloxypentoxy)pentanoic acid?
The IUPAC name of 5-(5-trityloxypentoxy)pentanoic acid (CID 122573368) is 5-(5-trityloxypentoxy)pentanoic acid.
What is the SMILES notation for 5-(5-trityloxypentoxy)pentanoic acid?
The canonical SMILES for 5-(5-trityloxypentoxy)pentanoic acid is O=C(O)CCCCOCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(5-trityloxypentoxy)pentanoic acid?
The InChIKey is QPLWZOCIGMGFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34O4/c30-28(31)21-11-14-23-32-22-12-4-13-24-33-29(25-15-5-1-6-16-25,26-17-7-2-8-18-26)27-19-9-3-10-20-27/h1-3,5-10,15-20H,4,11-14,21-24H2,(H,30,31).
What are the key properties of 5-(5-trityloxypentoxy)pentanoic acid?
5-(5-trityloxypentoxy)pentanoic acid has a molecular weight of 446.59 g/mol, XLogP of 6.44, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-trityloxypentoxy)pentanoic acid is sourced from PubChem (CID 122573368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).