(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-trimethylsilyloxiran-2-yl]propan-1-ol

C14H32O3Si2 — CID 146162736

IUPAC(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-trimethylsilyloxiran-2-yl]propan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](O)[C@H]1O[C@H]1[Si](C)(C)C
InChIInChI=1S/C14H32O3Si2/c1-14(2,3)19(7,8)16-10-9-11(15)12-13(17-12)18(4,5)6/h11-13,15H,9-10H2,1-8H3/t11-,12+,13-/m0/s1
InChIKeyDSOKKFMVNUKZQI-XQQFMLRXSA-N
MW304.58 g/mol
LogP3.40
Rot. Bonds6

About (1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-trimethylsilyloxiran-2-yl]propan-1-ol

(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-trimethylsilyloxiran-2-yl]propan-1-ol (PubChem CID 146162736) has the molecular formula C14H32O3Si2 and a molecular weight of 304.58 g/mol. Its IUPAC name is (1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-trimethylsilyloxiran-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-trimethylsilyloxiran-2-yl]propan-1-ol
PubChem CID146162736
Molecular FormulaC14H32O3Si2
Molecular Weight304.58 g/mol
Exact Mass304.19
IUPAC Name(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-trimethylsilyloxiran-2-yl]propan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](O)[C@H]1O[C@H]1[Si](C)(C)C
InChIInChI=1S/C14H32O3Si2/c1-14(2,3)19(7,8)16-10-9-11(15)12-13(17-12)18(4,5)6/h11-13,15H,9-10H2,1-8H3/t11-,12+,13-/m0/s1
InChIKeyDSOKKFMVNUKZQI-XQQFMLRXSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.58
LogP ≤ 53.40
H-Bond Donors ≤ 51
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 (1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-trimethylsilyloxiran-2-yl]propan-1-ol?
The IUPAC name of (1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-trimethylsilyloxiran-2-yl]propan-1-ol (CID 146162736) is (1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-trimethylsilyloxiran-2-yl]propan-1-ol.
What is the SMILES notation for (1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-trimethylsilyloxiran-2-yl]propan-1-ol?
The canonical SMILES for (1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-trimethylsilyloxiran-2-yl]propan-1-ol is CC(C)(C)[Si](C)(C)OCC[C@H](O)[C@H]1O[C@H]1[Si](C)(C)C.
What is the InChIKey of (1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-trimethylsilyloxiran-2-yl]propan-1-ol?
The InChIKey is DSOKKFMVNUKZQI-XQQFMLRXSA-N. The full InChI is InChI=1S/C14H32O3Si2/c1-14(2,3)19(7,8)16-10-9-11(15)12-13(17-12)18(4,5)6/h11-13,15H,9-10H2,1-8H3/t11-,12+,13-/m0/s1.
What are the key properties of (1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-trimethylsilyloxiran-2-yl]propan-1-ol?
(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-trimethylsilyloxiran-2-yl]propan-1-ol has a molecular weight of 304.58 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-trimethylsilyloxiran-2-yl]propan-1-ol is sourced from PubChem (CID 146162736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).