3-(diethoxymethylsilyl)propyl hydrogen carbonate

C9H20O5Si — CID 173009319

IUPAC3-(diethoxymethylsilyl)propyl hydrogen carbonate
SMILESCCOC(OCC)[SiH2]CCCOC(=O)O
InChIInChI=1S/C9H20O5Si/c1-3-12-9(13-4-2)15-7-5-6-14-8(10)11/h9H,3-7,15H2,1-2H3,(H,10,11)
InChIKeyYTIAHBBTDRLHAJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.01
Rot. Bonds9

About 3-(diethoxymethylsilyl)propyl hydrogen carbonate

3-(diethoxymethylsilyl)propyl hydrogen carbonate (PubChem CID 173009319) has the molecular formula C9H20O5Si and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-(diethoxymethylsilyl)propyl hydrogen carbonate.

Molecular Properties

Compound Name3-(diethoxymethylsilyl)propyl hydrogen carbonate
PubChem CID173009319
Molecular FormulaC9H20O5Si
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name3-(diethoxymethylsilyl)propyl hydrogen carbonate
SMILESCCOC(OCC)[SiH2]CCCOC(=O)O
InChIInChI=1S/C9H20O5Si/c1-3-12-9(13-4-2)15-7-5-6-14-8(10)11/h9H,3-7,15H2,1-2H3,(H,10,11)
InChIKeyYTIAHBBTDRLHAJ-UHFFFAOYSA-N
XLogP1.01
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethoxymethyl-[3-(diethoxymethylsilyl)propyl]silane
CID 123160083
ethyl 3-(diethoxymethylsilyl)propanoate
CID 154146621
3-(diethoxymethylsilyl)propan-1-amine;4-oxobutanoic acid
CID 158760042
diethoxymethyl(heptadecyl)silane
CID 154220252
diethoxymethyl(tridecyl)silane
CID 154372881
butyl hydrogen carbonate
CID 157271096
3-(dimethoxymethylsilyl)propyl carbamate
CID 123703912
1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
CID 154063195
diethoxymethyl-[3-[3-(diethoxymethylsilyl)propyltrisulfanyl]propyl]silane
CID 154121374
3-ethoxypentyl hydrogen carbonate
CID 139923320
11-carboxyoxyundecyl hydrogen carbonate
CID 87454351
6-carboxyoxyhexyl hydrogen carbonate
CID 10420507

Frequently Asked Questions

What is the IUPAC name of 3-(diethoxymethylsilyl)propyl hydrogen carbonate?
The IUPAC name of 3-(diethoxymethylsilyl)propyl hydrogen carbonate (CID 173009319) is 3-(diethoxymethylsilyl)propyl hydrogen carbonate.
What is the SMILES notation for 3-(diethoxymethylsilyl)propyl hydrogen carbonate?
The canonical SMILES for 3-(diethoxymethylsilyl)propyl hydrogen carbonate is CCOC(OCC)[SiH2]CCCOC(=O)O.
What is the InChIKey of 3-(diethoxymethylsilyl)propyl hydrogen carbonate?
The InChIKey is YTIAHBBTDRLHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5Si/c1-3-12-9(13-4-2)15-7-5-6-14-8(10)11/h9H,3-7,15H2,1-2H3,(H,10,11).
What are the key properties of 3-(diethoxymethylsilyl)propyl hydrogen carbonate?
3-(diethoxymethylsilyl)propyl hydrogen carbonate has a molecular weight of 236.34 g/mol, XLogP of 1.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxymethylsilyl)propyl hydrogen carbonate is sourced from PubChem (CID 173009319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).