2-pentan-3-ylsilylpropan-2-yl hydrogen carbonate

C9H20O3Si — CID 175180591

IUPAC2-pentan-3-ylsilylpropan-2-yl hydrogen carbonate
SMILESCCC(CC)[SiH2]C(C)(C)OC(=O)O
InChIInChI=1S/C9H20O3Si/c1-5-7(6-2)13-9(3,4)12-8(10)11/h7H,5-6,13H2,1-4H3,(H,10,11)
InChIKeyCPYBHRPQYYJSHQ-UHFFFAOYSA-N
MW204.34 g/mol
LogP2.19
Rot. Bonds5

About 2-pentan-3-ylsilylpropan-2-yl hydrogen carbonate

2-pentan-3-ylsilylpropan-2-yl hydrogen carbonate (PubChem CID 175180591) has the molecular formula C9H20O3Si and a molecular weight of 204.34 g/mol. Its IUPAC name is 2-pentan-3-ylsilylpropan-2-yl hydrogen carbonate.

Molecular Properties

Compound Name2-pentan-3-ylsilylpropan-2-yl hydrogen carbonate
PubChem CID175180591
Molecular FormulaC9H20O3Si
Molecular Weight204.34 g/mol
Exact Mass204.12
IUPAC Name2-pentan-3-ylsilylpropan-2-yl hydrogen carbonate
SMILESCCC(CC)[SiH2]C(C)(C)OC(=O)O
InChIInChI=1S/C9H20O3Si/c1-5-7(6-2)13-9(3,4)12-8(10)11/h7H,5-6,13H2,1-4H3,(H,10,11)
InChIKeyCPYBHRPQYYJSHQ-UHFFFAOYSA-N
XLogP2.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 52.19
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

1,1-dimethoxypropyl hydrogen carbonate
CID 175172904
1,2-dichloropropan-2-yl hydrogen carbonate
CID 88841599
tert-butyl hydrogen carbonate;octane
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(2-iodo-3-methylbutan-2-yl) hydrogen carbonate
CID 54246079
2-fluoropropan-2-yl hydrogen carbonate
CID 87318684
2-methylbut-3-en-2-yl (2S)-2-aminobutanoate
CID 102467001
1-chloropropan-2-yl 2-carboxyoxy-2-methylpropanoate
CID 156560292
(2S,3S)-2-[(1R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-methylpentanoic acid
CID 171975694
tert-butyl hydrogen carbonate;2-propan-2-ylperoxypropane
CID 90170180
tert-butyl hydrogen carbonate;2-methylpropan-2-amine
CID 173023605
2-ethyl-4-hydroxy-4,5-dimethylhexanoic acid
CID 114495170
2,4-dimethyloctan-4-yl hydrogen carbonate
CID 175223013

Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-ylsilylpropan-2-yl hydrogen carbonate?
The IUPAC name of 2-pentan-3-ylsilylpropan-2-yl hydrogen carbonate (CID 175180591) is 2-pentan-3-ylsilylpropan-2-yl hydrogen carbonate.
What is the SMILES notation for 2-pentan-3-ylsilylpropan-2-yl hydrogen carbonate?
The canonical SMILES for 2-pentan-3-ylsilylpropan-2-yl hydrogen carbonate is CCC(CC)[SiH2]C(C)(C)OC(=O)O.
What is the InChIKey of 2-pentan-3-ylsilylpropan-2-yl hydrogen carbonate?
The InChIKey is CPYBHRPQYYJSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3Si/c1-5-7(6-2)13-9(3,4)12-8(10)11/h7H,5-6,13H2,1-4H3,(H,10,11).
What are the key properties of 2-pentan-3-ylsilylpropan-2-yl hydrogen carbonate?
2-pentan-3-ylsilylpropan-2-yl hydrogen carbonate has a molecular weight of 204.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-ylsilylpropan-2-yl hydrogen carbonate is sourced from PubChem (CID 175180591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).