tert-butyl-dimethyl-[[(2R,3S)-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]methoxy]silane

C19H42O3Si2 — CID 135022962

IUPACtert-butyl-dimethyl-[[(2R,3S)-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]methoxy]silane
SMILESCC(C)[Si](OC[C@@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H42O3Si2/c1-14(2)24(15(3)4,16(5)6)21-13-18-17(22-18)12-20-23(10,11)19(7,8)9/h14-18H,12-13H2,1-11H3/t17-,18+/m1/s1
InChIKeyPDRVRUDHULMZHO-MSOLQXFVSA-N
MW374.71 g/mol
LogP5.97
Rot. Bonds9

About tert-butyl-dimethyl-[[(2R,3S)-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2R,3S)-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]methoxy]silane (PubChem CID 135022962) has the molecular formula C19H42O3Si2 and a molecular weight of 374.71 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2R,3S)-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2R,3S)-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]methoxy]silane
PubChem CID135022962
Molecular FormulaC19H42O3Si2
Molecular Weight374.71 g/mol
Exact Mass374.27
IUPAC Nametert-butyl-dimethyl-[[(2R,3S)-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]methoxy]silane
SMILESCC(C)[Si](OC[C@@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H42O3Si2/c1-14(2)24(15(3)4,16(5)6)21-13-18-17(22-18)12-20-23(10,11)19(7,8)9/h14-18H,12-13H2,1-11H3/t17-,18+/m1/s1
InChIKeyPDRVRUDHULMZHO-MSOLQXFVSA-N
XLogP5.97
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.71
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2R,3S)-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2R,3S)-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]methoxy]silane (CID 135022962) is tert-butyl-dimethyl-[[(2R,3S)-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2R,3S)-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2R,3S)-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]methoxy]silane is CC(C)[Si](OC[C@@H]1O[C@@H]1CO[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(2R,3S)-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]methoxy]silane?
The InChIKey is PDRVRUDHULMZHO-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H42O3Si2/c1-14(2)24(15(3)4,16(5)6)21-13-18-17(22-18)12-20-23(10,11)19(7,8)9/h14-18H,12-13H2,1-11H3/t17-,18+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(2R,3S)-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2R,3S)-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]methoxy]silane has a molecular weight of 374.71 g/mol, XLogP of 5.97, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2R,3S)-3-[tri(propan-2-yl)silyloxymethyl]oxiran-2-yl]methoxy]silane is sourced from PubChem (CID 135022962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).