[(2R,3S)-2-(2-methoxyethoxymethoxy)-3-[(2S,3R)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane

C20H42O5Si — CID 101369907

IUPAC[(2R,3S)-2-(2-methoxyethoxymethoxy)-3-[(2S,3R)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane
SMILESCOCCOCO[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)[C@@H]1O[C@@H]1C
InChIInChI=1S/C20H42O5Si/c1-14(2)26(15(3)4,16(5)6)24-12-19(17(7)20-18(8)25-20)23-13-22-11-10-21-9/h14-20H,10-13H2,1-9H3/t17-,18+,19-,20-/m0/s1
InChIKeyYPDPHHWDPCXWRC-YRPNKDGESA-N
MW390.64 g/mol
LogP4.61
Rot. Bonds14

About [(2R,3S)-2-(2-methoxyethoxymethoxy)-3-[(2S,3R)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane

[(2R,3S)-2-(2-methoxyethoxymethoxy)-3-[(2S,3R)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane (PubChem CID 101369907) has the molecular formula C20H42O5Si and a molecular weight of 390.64 g/mol. Its IUPAC name is [(2R,3S)-2-(2-methoxyethoxymethoxy)-3-[(2S,3R)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R,3S)-2-(2-methoxyethoxymethoxy)-3-[(2S,3R)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane
PubChem CID101369907
Molecular FormulaC20H42O5Si
Molecular Weight390.64 g/mol
Exact Mass390.28
IUPAC Name[(2R,3S)-2-(2-methoxyethoxymethoxy)-3-[(2S,3R)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane
SMILESCOCCOCO[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)[C@@H]1O[C@@H]1C
InChIInChI=1S/C20H42O5Si/c1-14(2)26(15(3)4,16(5)6)24-12-19(17(7)20-18(8)25-20)23-13-22-11-10-21-9/h14-20H,10-13H2,1-9H3/t17-,18+,19-,20-/m0/s1
InChIKeyYPDPHHWDPCXWRC-YRPNKDGESA-N
XLogP4.61
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.64
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [(2R,3S)-2-(2-methoxyethoxymethoxy)-3-[(2S,3R)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(2-methoxyethoxymethoxy)-3-[(2S,3R)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(2R,3S)-2-(2-methoxyethoxymethoxy)-3-[(2S,3R)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane (CID 101369907) is [(2R,3S)-2-(2-methoxyethoxymethoxy)-3-[(2S,3R)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R,3S)-2-(2-methoxyethoxymethoxy)-3-[(2S,3R)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(2R,3S)-2-(2-methoxyethoxymethoxy)-3-[(2S,3R)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane is COCCOCO[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)[C@@H]1O[C@@H]1C.
What is the InChIKey of [(2R,3S)-2-(2-methoxyethoxymethoxy)-3-[(2S,3R)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane?
The InChIKey is YPDPHHWDPCXWRC-YRPNKDGESA-N. The full InChI is InChI=1S/C20H42O5Si/c1-14(2)26(15(3)4,16(5)6)24-12-19(17(7)20-18(8)25-20)23-13-22-11-10-21-9/h14-20H,10-13H2,1-9H3/t17-,18+,19-,20-/m0/s1.
What are the key properties of [(2R,3S)-2-(2-methoxyethoxymethoxy)-3-[(2S,3R)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane?
[(2R,3S)-2-(2-methoxyethoxymethoxy)-3-[(2S,3R)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane has a molecular weight of 390.64 g/mol, XLogP of 4.61, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(2-methoxyethoxymethoxy)-3-[(2S,3R)-3-methyloxiran-2-yl]butoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 101369907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).