[dimethyl(2-methylbutyl)silyl] hydrogen carbonate

C8H18O3Si — CID 175195854

IUPAC[dimethyl(2-methylbutyl)silyl] hydrogen carbonate
SMILESCCC(C)C[Si](C)(C)OC(=O)O
InChIInChI=1S/C8H18O3Si/c1-5-7(2)6-12(3,4)11-8(9)10/h7H,5-6H2,1-4H3,(H,9,10)
InChIKeySMIJWEJVEJAUQV-UHFFFAOYSA-N
MW190.31 g/mol
LogP2.93
Rot. Bonds4

About [dimethyl(2-methylbutyl)silyl] hydrogen carbonate

[dimethyl(2-methylbutyl)silyl] hydrogen carbonate (PubChem CID 175195854) has the molecular formula C8H18O3Si and a molecular weight of 190.31 g/mol. Its IUPAC name is [dimethyl(2-methylbutyl)silyl] hydrogen carbonate.

Molecular Properties

Compound Name[dimethyl(2-methylbutyl)silyl] hydrogen carbonate
PubChem CID175195854
Molecular FormulaC8H18O3Si
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name[dimethyl(2-methylbutyl)silyl] hydrogen carbonate
SMILESCCC(C)C[Si](C)(C)OC(=O)O
InChIInChI=1S/C8H18O3Si/c1-5-7(2)6-12(3,4)11-8(9)10/h7H,5-6H2,1-4H3,(H,9,10)
InChIKeySMIJWEJVEJAUQV-UHFFFAOYSA-N
XLogP2.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;3-methylpentane
CID 173481374
hydroxy-dimethyl-(2-methylbutyl)silane
CID 57226261
chloro-dimethyl-(2-methylbutyl)silane
CID 53422843
dimethoxy-methyl-(2-methylbutyl)silane
CID 23599597
2-trimethylsilyloxybutanoic acid
CID 88616813
(2S)-2-[(2S)-2-methylbutoxy]propanoic acid
CID 150908774
carbonic acid;3-methylpentane-1,1-diol
CID 87689978
2-(2-methylbutylsulfonyl)propanoic acid
CID 62105863
bromo 4-methylhexanoate
CID 174730777
2-methylbutyl 2-aminooxypropanoate
CID 178072336
(E)-4-(3-methylpentoxy)-4-oxobut-2-enoic acid
CID 88825768
5-[dimethyl(2-methylpropyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid
CID 90705559

Frequently Asked Questions

What is the IUPAC name of [dimethyl(2-methylbutyl)silyl] hydrogen carbonate?
The IUPAC name of [dimethyl(2-methylbutyl)silyl] hydrogen carbonate (CID 175195854) is [dimethyl(2-methylbutyl)silyl] hydrogen carbonate.
What is the SMILES notation for [dimethyl(2-methylbutyl)silyl] hydrogen carbonate?
The canonical SMILES for [dimethyl(2-methylbutyl)silyl] hydrogen carbonate is CCC(C)C[Si](C)(C)OC(=O)O.
What is the InChIKey of [dimethyl(2-methylbutyl)silyl] hydrogen carbonate?
The InChIKey is SMIJWEJVEJAUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3Si/c1-5-7(2)6-12(3,4)11-8(9)10/h7H,5-6H2,1-4H3,(H,9,10).
What are the key properties of [dimethyl(2-methylbutyl)silyl] hydrogen carbonate?
[dimethyl(2-methylbutyl)silyl] hydrogen carbonate has a molecular weight of 190.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(2-methylbutyl)silyl] hydrogen carbonate is sourced from PubChem (CID 175195854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).