[(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol

C12H24O3Si — CID 53391687

IUPAC[(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OC/C=C/[C@@H]1O[C@H]1CO
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)14-8-6-7-10-11(9-13)15-10/h6-7,10-11,13H,8-9H2,1-5H3/b7-6+/t10-,11-/m0/s1
InChIKeyIAWQUPBZEIRKHY-JYLGIWJRSA-N
MW244.41 g/mol
LogP2.32
Rot. Bonds5

About [(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol

[(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol (PubChem CID 53391687) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is [(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol
PubChem CID53391687
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name[(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OC/C=C/[C@@H]1O[C@H]1CO
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)14-8-6-7-10-11(9-13)15-10/h6-7,10-11,13H,8-9H2,1-5H3/b7-6+/t10-,11-/m0/s1
InChIKeyIAWQUPBZEIRKHY-JYLGIWJRSA-N
XLogP2.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 123215238
tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
CID 76815810
tert-butyl-[(Z)-5,5-dimethylhex-2-enoxy]-dimethylsilane
CID 58534802
4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753
(E)-4-[tert-butyl(dimethyl)silyl]oxy-N-methylbut-2-en-1-amine
CID 125478313
[(2S,3R)-3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol
CID 56946449
[(2R,3S)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]methanol
CID 10853033
tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane
CID 54455655
tert-butyl-dimethyl-[(Z)-pent-2-en-4-ynoxy]silane
CID 135083715
5-[(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-2,2-dimethyl-1,3-dioxan-5-ol
CID 102147244
4-azidobut-2-enoxy-tert-butyl-dimethylsilane
CID 71412857

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol (CID 53391687) is [(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol is CC(C)(C)[Si](C)(C)OC/C=C/[C@@H]1O[C@H]1CO.
What is the InChIKey of [(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol?
The InChIKey is IAWQUPBZEIRKHY-JYLGIWJRSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)14-8-6-7-10-11(9-13)15-10/h6-7,10-11,13H,8-9H2,1-5H3/b7-6+/t10-,11-/m0/s1.
What are the key properties of [(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol?
[(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol has a molecular weight of 244.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol is sourced from PubChem (CID 53391687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).