2-(3-trityloxypropoxy)oxane

C27H30O3 — CID 101461782

IUPAC2-(3-trityloxypropoxy)oxane
SMILESc1ccc(C(OCCCOC2CCCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H30O3/c1-4-13-23(14-5-1)27(24-15-6-2-7-16-24,25-17-8-3-9-18-25)30-22-12-21-29-26-19-10-11-20-28-26/h1-9,13-18,26H,10-12,19-22H2
InChIKeyMESHURDQIOVECL-UHFFFAOYSA-N
MW402.53 g/mol
LogP5.93
Rot. Bonds9

About 2-(3-trityloxypropoxy)oxane

2-(3-trityloxypropoxy)oxane (PubChem CID 101461782) has the molecular formula C27H30O3 and a molecular weight of 402.53 g/mol. Its IUPAC name is 2-(3-trityloxypropoxy)oxane.

Molecular Properties

Compound Name2-(3-trityloxypropoxy)oxane
PubChem CID101461782
Molecular FormulaC27H30O3
Molecular Weight402.53 g/mol
Exact Mass402.22
IUPAC Name2-(3-trityloxypropoxy)oxane
SMILESc1ccc(C(OCCCOC2CCCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H30O3/c1-4-13-23(14-5-1)27(24-15-6-2-7-16-24,25-17-8-3-9-18-25)30-22-12-21-29-26-19-10-11-20-28-26/h1-9,13-18,26H,10-12,19-22H2
InChIKeyMESHURDQIOVECL-UHFFFAOYSA-N
XLogP5.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.53
LogP ≤ 55.93
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

(2S)-2-[3-(2-methoxyphenoxy)propoxy]oxane
CID 100761288
2-(2-phenoxyethoxy)oxane
CID 11736193
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
8-(oxan-2-yloxy)octyl benzoate
CID 11551737
2-(4-trityloxybutoxymethyl)oxirane
CID 19992449
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
phenyl 4-(oxan-2-yloxy)butanoate
CID 86032233
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
6-(oxan-2-yloxy)-2-phenylselanylhexanal
CID 15725666
7-(oxan-2-yloxy)-1-phenylheptan-3-one
CID 14472634

Frequently Asked Questions

What is the IUPAC name of 2-(3-trityloxypropoxy)oxane?
The IUPAC name of 2-(3-trityloxypropoxy)oxane (CID 101461782) is 2-(3-trityloxypropoxy)oxane.
What is the SMILES notation for 2-(3-trityloxypropoxy)oxane?
The canonical SMILES for 2-(3-trityloxypropoxy)oxane is c1ccc(C(OCCCOC2CCCCO2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(3-trityloxypropoxy)oxane?
The InChIKey is MESHURDQIOVECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O3/c1-4-13-23(14-5-1)27(24-15-6-2-7-16-24,25-17-8-3-9-18-25)30-22-12-21-29-26-19-10-11-20-28-26/h1-9,13-18,26H,10-12,19-22H2.
What are the key properties of 2-(3-trityloxypropoxy)oxane?
2-(3-trityloxypropoxy)oxane has a molecular weight of 402.53 g/mol, XLogP of 5.93, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-trityloxypropoxy)oxane is sourced from PubChem (CID 101461782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).