tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane

C12H26O3Si — CID 76778047

IUPACtert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
SMILESC=CC(CO[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C12H26O3Si/c1-8-11(14-10-13-5)9-15-16(6,7)12(2,3)4/h8,11H,1,9-10H2,2-7H3
InChIKeyXKTZUHZIWVUECT-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.18
Rot. Bonds7

About tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane

tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane (PubChem CID 76778047) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
PubChem CID76778047
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Nametert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
SMILESC=CC(CO[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C12H26O3Si/c1-8-11(14-10-13-5)9-15-16(6,7)12(2,3)4/h8,11H,1,9-10H2,2-7H3
InChIKeyXKTZUHZIWVUECT-UHFFFAOYSA-N
XLogP3.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-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

[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389
(2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(methoxymethoxy)butan-2-ol
CID 101252863
tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane
CID 10978227
tert-butyl-(2-ethylbut-3-enoxy)-dimethylsilane
CID 86646162
tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane
CID 11102001
tert-butyl-[(3R,4R,5R,6R,9S)-9-methoxy-3,5-bis(methoxymethoxy)-4,6-dimethylundec-10-enoxy]-dimethylsilane
CID 10623941
[(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] 2,2,2-trichloroethanimidate
CID 134859214
(3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol
CID 15280451
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,4-bis(methoxymethoxy)pentan-2-one
CID 10948163
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol
CID 125487080
(E)-1-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)hept-3-ene-2,5-dione
CID 101151250

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane (CID 76778047) is tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane is C=CC(CO[Si](C)(C)C(C)(C)C)OCOC.
What is the InChIKey of tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane?
The InChIKey is XKTZUHZIWVUECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-8-11(14-10-13-5)9-15-16(6,7)12(2,3)4/h8,11H,1,9-10H2,2-7H3.
What are the key properties of tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane?
tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane has a molecular weight of 246.42 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane is sourced from PubChem (CID 76778047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).