[(2S,3R,4S)-3-bromo-2,4-dimethyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane

C13H27BrO2Si — CID 11336259

IUPAC[(2S,3R,4S)-3-bromo-2,4-dimethyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC[C@H]1CO[C@@](C)(CO[Si](C)(C)C(C)(C)C)[C@@H]1Br
InChIInChI=1S/C13H27BrO2Si/c1-10-8-15-13(5,11(10)14)9-16-17(6,7)12(2,3)4/h10-11H,8-9H2,1-7H3/t10-,11+,13-/m0/s1
InChIKeyLOXBUYQNNPFVOM-LOWVWBTDSA-N
MW323.35 g/mol
LogP4.20
Rot. Bonds3

About [(2S,3R,4S)-3-bromo-2,4-dimethyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane

[(2S,3R,4S)-3-bromo-2,4-dimethyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 11336259) has the molecular formula C13H27BrO2Si and a molecular weight of 323.35 g/mol. Its IUPAC name is [(2S,3R,4S)-3-bromo-2,4-dimethyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3R,4S)-3-bromo-2,4-dimethyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID11336259
Molecular FormulaC13H27BrO2Si
Molecular Weight323.35 g/mol
Exact Mass322.10
IUPAC Name[(2S,3R,4S)-3-bromo-2,4-dimethyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC[C@H]1CO[C@@](C)(CO[Si](C)(C)C(C)(C)C)[C@@H]1Br
InChIInChI=1S/C13H27BrO2Si/c1-10-8-15-13(5,11(10)14)9-16-17(6,7)12(2,3)4/h10-11H,8-9H2,1-7H3/t10-,11+,13-/m0/s1
InChIKeyLOXBUYQNNPFVOM-LOWVWBTDSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(2S,3R,4S)-3-bromo-2,4-dimethyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane 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

(3R,3aS,6R,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-ol
CID 135068634
3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-amine
CID 171692296
tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 10105989
tert-butyl-[[(1S,5R)-6,6-dimethyl-2-methylidene-1-bicyclo[3.1.0]hexanyl]methoxy]-dimethylsilane
CID 99771555
1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutan-1-ol
CID 70362766
[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 59000904
methyl 1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclobutane-1-carboxylate
CID 174067211
tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane
CID 11360349
(Z)-7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid
CID 70399511
2-[(1R,2E,3R)-2-(bromomethylidene)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-2-yloxy-trimethylsilane
CID 102456007
[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluoro-2-methylcyclopropyl]methanol
CID 16655222
[(2S,3R)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-1,1,1-trichlorobutan-2-yl] methanesulfonate
CID 138969959

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S)-3-bromo-2,4-dimethyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,3R,4S)-3-bromo-2,4-dimethyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 11336259) is [(2S,3R,4S)-3-bromo-2,4-dimethyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,3R,4S)-3-bromo-2,4-dimethyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,3R,4S)-3-bromo-2,4-dimethyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane is C[C@H]1CO[C@@](C)(CO[Si](C)(C)C(C)(C)C)[C@@H]1Br.
What is the InChIKey of [(2S,3R,4S)-3-bromo-2,4-dimethyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is LOXBUYQNNPFVOM-LOWVWBTDSA-N. The full InChI is InChI=1S/C13H27BrO2Si/c1-10-8-15-13(5,11(10)14)9-16-17(6,7)12(2,3)4/h10-11H,8-9H2,1-7H3/t10-,11+,13-/m0/s1.
What are the key properties of [(2S,3R,4S)-3-bromo-2,4-dimethyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2S,3R,4S)-3-bromo-2,4-dimethyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 323.35 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S)-3-bromo-2,4-dimethyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11336259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).