(2R)-1-icosoxy-3-trityloxypropan-2-ol

C42H62O3 — CID 67327008

IUPAC(2R)-1-icosoxy-3-trityloxypropan-2-ol
SMILESCCCCCCCCCCCCCCCCCCCCOC[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H62O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-35-44-36-41(43)37-45-42(38-29-22-19-23-30-38,39-31-24-20-25-32-39)40-33-26-21-27-34-40/h19-27,29-34,41,43H,2-18,28,35-37H2,1H3/t41-/m1/s1
InChIKeyZGPZCTXHQMCQTE-VQJSHJPSSA-N
MW614.96 g/mol
LogP11.41
Rot. Bonds27

About (2R)-1-icosoxy-3-trityloxypropan-2-ol

(2R)-1-icosoxy-3-trityloxypropan-2-ol (PubChem CID 67327008) has the molecular formula C42H62O3 and a molecular weight of 614.96 g/mol. Its IUPAC name is (2R)-1-icosoxy-3-trityloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-icosoxy-3-trityloxypropan-2-ol
PubChem CID67327008
Molecular FormulaC42H62O3
Molecular Weight614.96 g/mol
Exact Mass614.47
IUPAC Name(2R)-1-icosoxy-3-trityloxypropan-2-ol
SMILESCCCCCCCCCCCCCCCCCCCCOC[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C42H62O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-35-44-36-41(43)37-45-42(38-29-22-19-23-30-38,39-31-24-20-25-32-39)40-33-26-21-27-34-40/h19-27,29-34,41,43H,2-18,28,35-37H2,1H3/t41-/m1/s1
InChIKeyZGPZCTXHQMCQTE-VQJSHJPSSA-N
XLogP11.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.96
LogP ≤ 511.41
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

(2R)-1-octoxy-3-trityloxypropan-2-ol
CID 67230477
1-tetradecoxy-3-trityloxypropan-2-ol
CID 12896847
carbamic acid;1-octadecoxy-3-trityloxypropan-2-ol
CID 71409528
(2R)-1-hexadecoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propan-2-ol
CID 14260773
1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[(Z)-docos-13-enoxy]propan-2-ol
CID 118667697
1-trityloxyoctadecan-2-ol
CID 10436974
1-non-8-enoxy-3-trityloxypropan-2-ol
CID 168868350
[(3-octadecoxy-2-phenoxypropoxy)-diphenylmethyl]benzene
CID 154476961
methyl (1-octadecoxy-3-trityloxypropan-2-yl) carbonate
CID 70521222
ethyl 5-bromopentanoate;ethyl 5-(1-hexadecoxy-3-trityloxypropan-2-yl)oxypentanoate;1-hexadecoxy-3-trityloxypropan-2-ol
CID 162210371
(2R,3S,4S,5R)-2,5-dioctadecoxy-1,6-ditrityloxyhexane-3,4-diol
CID 88631205
(2R,3S,4S,5R)-2,5-didecoxy-1,6-ditrityloxyhexane-3,4-diol
CID 88631148

Frequently Asked Questions

What is the IUPAC name of (2R)-1-icosoxy-3-trityloxypropan-2-ol?
The IUPAC name of (2R)-1-icosoxy-3-trityloxypropan-2-ol (CID 67327008) is (2R)-1-icosoxy-3-trityloxypropan-2-ol.
What is the SMILES notation for (2R)-1-icosoxy-3-trityloxypropan-2-ol?
The canonical SMILES for (2R)-1-icosoxy-3-trityloxypropan-2-ol is CCCCCCCCCCCCCCCCCCCCOC[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-icosoxy-3-trityloxypropan-2-ol?
The InChIKey is ZGPZCTXHQMCQTE-VQJSHJPSSA-N. The full InChI is InChI=1S/C42H62O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-35-44-36-41(43)37-45-42(38-29-22-19-23-30-38,39-31-24-20-25-32-39)40-33-26-21-27-34-40/h19-27,29-34,41,43H,2-18,28,35-37H2,1H3/t41-/m1/s1.
What are the key properties of (2R)-1-icosoxy-3-trityloxypropan-2-ol?
(2R)-1-icosoxy-3-trityloxypropan-2-ol has a molecular weight of 614.96 g/mol, XLogP of 11.41, 27 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-icosoxy-3-trityloxypropan-2-ol is sourced from PubChem (CID 67327008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).