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

C30H38O3 — CID 67230477

IUPAC(2R)-1-octoxy-3-trityloxypropan-2-ol
SMILESCCCCCCCCOC[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H38O3/c1-2-3-4-5-6-16-23-32-24-29(31)25-33-30(26-17-10-7-11-18-26,27-19-12-8-13-20-27)28-21-14-9-15-22-28/h7-15,17-22,29,31H,2-6,16,23-25H2,1H3/t29-/m1/s1
InChIKeyNQDWZCLRSWHLPZ-GDLZYMKVSA-N
MW446.63 g/mol
LogP6.73
Rot. Bonds15

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

(2R)-1-octoxy-3-trityloxypropan-2-ol (PubChem CID 67230477) has the molecular formula C30H38O3 and a molecular weight of 446.63 g/mol. Its IUPAC name is (2R)-1-octoxy-3-trityloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-octoxy-3-trityloxypropan-2-ol
PubChem CID67230477
Molecular FormulaC30H38O3
Molecular Weight446.63 g/mol
Exact Mass446.28
IUPAC Name(2R)-1-octoxy-3-trityloxypropan-2-ol
SMILESCCCCCCCCOC[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H38O3/c1-2-3-4-5-6-16-23-32-24-29(31)25-33-30(26-17-10-7-11-18-26,27-19-12-8-13-20-27)28-21-14-9-15-22-28/h7-15,17-22,29,31H,2-6,16,23-25H2,1H3/t29-/m1/s1
InChIKeyNQDWZCLRSWHLPZ-GDLZYMKVSA-N
XLogP6.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.63
LogP ≤ 56.73
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

1-tetradecoxy-3-trityloxypropan-2-ol
CID 12896847
(2R)-1-icosoxy-3-trityloxypropan-2-ol
CID 67327008
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-octoxy-3-trityloxypropan-2-ol?
The IUPAC name of (2R)-1-octoxy-3-trityloxypropan-2-ol (CID 67230477) is (2R)-1-octoxy-3-trityloxypropan-2-ol.
What is the SMILES notation for (2R)-1-octoxy-3-trityloxypropan-2-ol?
The canonical SMILES for (2R)-1-octoxy-3-trityloxypropan-2-ol is CCCCCCCCOC[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-octoxy-3-trityloxypropan-2-ol?
The InChIKey is NQDWZCLRSWHLPZ-GDLZYMKVSA-N. The full InChI is InChI=1S/C30H38O3/c1-2-3-4-5-6-16-23-32-24-29(31)25-33-30(26-17-10-7-11-18-26,27-19-12-8-13-20-27)28-21-14-9-15-22-28/h7-15,17-22,29,31H,2-6,16,23-25H2,1H3/t29-/m1/s1.
What are the key properties of (2R)-1-octoxy-3-trityloxypropan-2-ol?
(2R)-1-octoxy-3-trityloxypropan-2-ol has a molecular weight of 446.63 g/mol, XLogP of 6.73, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-octoxy-3-trityloxypropan-2-ol is sourced from PubChem (CID 67230477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).