(1,3-diethoxy-3-methylbutan-2-yl)-trimethylsilane

C12H28O2Si — CID 173485738

IUPAC(1,3-diethoxy-3-methylbutan-2-yl)-trimethylsilane
SMILESCCOCC(C(C)(C)OCC)[Si](C)(C)C
InChIInChI=1S/C12H28O2Si/c1-8-13-10-11(15(5,6)7)12(3,4)14-9-2/h11H,8-10H2,1-7H3
InChIKeyABSOLXMPJWOMGC-UHFFFAOYSA-N
MW232.44 g/mol
LogP3.55
Rot. Bonds7

About (1,3-diethoxy-3-methylbutan-2-yl)-trimethylsilane

(1,3-diethoxy-3-methylbutan-2-yl)-trimethylsilane (PubChem CID 173485738) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is (1,3-diethoxy-3-methylbutan-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(1,3-diethoxy-3-methylbutan-2-yl)-trimethylsilane
PubChem CID173485738
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Name(1,3-diethoxy-3-methylbutan-2-yl)-trimethylsilane
SMILESCCOCC(C(C)(C)OCC)[Si](C)(C)C
InChIInChI=1S/C12H28O2Si/c1-8-13-10-11(15(5,6)7)12(3,4)14-9-2/h11H,8-10H2,1-7H3
InChIKeyABSOLXMPJWOMGC-UHFFFAOYSA-N
XLogP3.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-diethoxy-3-methylbutan-2-amine
CID 116726159
1,3-diethoxybutan-2-yl(trimethyl)silane
CID 173485775
ethane;2-ethoxy-2,3-dimethylbutane
CID 169190788
1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane
CID 89011685
1-ethoxy-3-methoxy-3-methylbutan-2-ol
CID 79575165
tert-butyl-chloro-dimethylsilane;ethoxyethane
CID 90417785
1-ethoxypropan-2-yloxy(trimethyl)silane
CID 91709820
2-ethoxy-2-(2-ethoxypropan-2-yloxy)propane
CID 87328218
(E)-1-ethoxy-2,4,7,9-tetramethyldec-5-ene-4,7-diol
CID 170562371
(2S)-1-ethoxy-3,3-difluorobutan-2-amine
CID 170383951
1-ethoxy-3,3-dimethylpentan-2-amine
CID 105008105
(3S)-2-ethoxy-2-methylhexan-3-amine
CID 104932360

Frequently Asked Questions

What is the IUPAC name of (1,3-diethoxy-3-methylbutan-2-yl)-trimethylsilane?
The IUPAC name of (1,3-diethoxy-3-methylbutan-2-yl)-trimethylsilane (CID 173485738) is (1,3-diethoxy-3-methylbutan-2-yl)-trimethylsilane.
What is the SMILES notation for (1,3-diethoxy-3-methylbutan-2-yl)-trimethylsilane?
The canonical SMILES for (1,3-diethoxy-3-methylbutan-2-yl)-trimethylsilane is CCOCC(C(C)(C)OCC)[Si](C)(C)C.
What is the InChIKey of (1,3-diethoxy-3-methylbutan-2-yl)-trimethylsilane?
The InChIKey is ABSOLXMPJWOMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-8-13-10-11(15(5,6)7)12(3,4)14-9-2/h11H,8-10H2,1-7H3.
What are the key properties of (1,3-diethoxy-3-methylbutan-2-yl)-trimethylsilane?
(1,3-diethoxy-3-methylbutan-2-yl)-trimethylsilane has a molecular weight of 232.44 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethoxy-3-methylbutan-2-yl)-trimethylsilane is sourced from PubChem (CID 173485738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).