(2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol

C26H30O5 — CID 67869334

IUPAC(2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol
SMILESCOCCOCOC[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30O5/c1-28-17-18-29-21-30-19-25(27)20-31-26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,25,27H,17-21H2,1H3/t25-/m1/s1
InChIKeyCYKQWOWLZIEGER-RUZDIDTESA-N
MW422.52 g/mol
LogP3.99
Rot. Bonds13

About (2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol

(2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol (PubChem CID 67869334) has the molecular formula C26H30O5 and a molecular weight of 422.52 g/mol. Its IUPAC name is (2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol
PubChem CID67869334
Molecular FormulaC26H30O5
Molecular Weight422.52 g/mol
Exact Mass422.21
IUPAC Name(2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol
SMILESCOCCOCOC[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30O5/c1-28-17-18-29-21-30-19-25(27)20-31-26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,25,27H,17-21H2,1H3/t25-/m1/s1
InChIKeyCYKQWOWLZIEGER-RUZDIDTESA-N
XLogP3.99
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Tribenoside
CID 196122
1,3-Dioxan-5-ol, 2-phenyl-
CID 74362
1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-
CID 107381
Ethyl trityl ether
CID 294563
1,1-Dibenzyloxy-2-phenylethane
CID 95980
[5-[Hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
CID 571026
2,4,6-Triphenyl-1,3-dioxane
CID 568919
Benzoin ethylene ketal
CID 243623
1,3-Bis(benzyloxy)propan-2-ol
CID 247614
Methyl 2,3,4-tri-O-benzyl-alpha-D-glucopyranoside
CID 11190476
2,5-Dimethoxy-2,5-diphenyl-1,4-dioxane
CID 5059104
(S)-Glycidyl Trityl Ether
CID 7168113

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol?
The IUPAC name of (2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol (CID 67869334) is (2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol.
What is the SMILES notation for (2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol?
The canonical SMILES for (2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol is COCCOCOC[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol?
The InChIKey is CYKQWOWLZIEGER-RUZDIDTESA-N. The full InChI is InChI=1S/C26H30O5/c1-28-17-18-29-21-30-19-25(27)20-31-26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,25,27H,17-21H2,1H3/t25-/m1/s1.
What are the key properties of (2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol?
(2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol has a molecular weight of 422.52 g/mol, XLogP of 3.99, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methoxyethoxymethoxy)-3-trityloxypropan-2-ol is sourced from PubChem (CID 67869334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).