alumane;silyl hydrogen carbonate

CH7AlO3Si — CID 173231811

IUPACalumane;silyl hydrogen carbonate
SMILESO=C(O)O[SiH3].[AlH3]
InChIInChI=1S/CH4O3Si.Al.3H/c2-1(3)4-5;;;;/h5H3,(H,2,3);;;;
InChIKeyZRWLLIJVVLCDBC-UHFFFAOYSA-N
MW122.13 g/mol
LogP-2.22
Rot. Bonds

About alumane;silyl hydrogen carbonate

alumane;silyl hydrogen carbonate (PubChem CID 173231811) has the molecular formula CH7AlO3Si and a molecular weight of 122.13 g/mol. Its IUPAC name is alumane;silyl hydrogen carbonate.

Molecular Properties

Compound Namealumane;silyl hydrogen carbonate
PubChem CID173231811
Molecular FormulaCH7AlO3Si
Molecular Weight122.13 g/mol
Exact Mass122.00
IUPAC Namealumane;silyl hydrogen carbonate
SMILESO=C(O)O[SiH3].[AlH3]
InChIInChI=1S/CH4O3Si.Al.3H/c2-1(3)4-5;;;;/h5H3,(H,2,3);;;;
InChIKeyZRWLLIJVVLCDBC-UHFFFAOYSA-N
XLogP-2.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 5-2.22
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

silyloxy hydrogen carbonate
CID 173188657
silyl 2-hydroxyprop-2-enoate
CID 174411527
carbonic acid;ruthenium
CID 87059075
silyl 3-methylbut-2-enoate
CID 172808710
carbonoperoxoic acid;iron
CID 87244357
carboxyoxy hydrogen carbonate;neodymium
CID 174688278
carbonic acid;carbonoperoxoic acid
CID 87881933
CID 87206652
CID 87206652
carbonoperoxoic acid;silane
CID 175161162
carboxy hydrogen carbonate;hydrochloride
CID 141485807
alumane;azane;carbonic acid
CID 174862963
alumane;carbonic acid;zinc
CID 173015750

Frequently Asked Questions

What is the IUPAC name of alumane;silyl hydrogen carbonate?
The IUPAC name of alumane;silyl hydrogen carbonate (CID 173231811) is alumane;silyl hydrogen carbonate.
What is the SMILES notation for alumane;silyl hydrogen carbonate?
The canonical SMILES for alumane;silyl hydrogen carbonate is O=C(O)O[SiH3].[AlH3].
What is the InChIKey of alumane;silyl hydrogen carbonate?
The InChIKey is ZRWLLIJVVLCDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O3Si.Al.3H/c2-1(3)4-5;;;;/h5H3,(H,2,3);;;;.
What are the key properties of alumane;silyl hydrogen carbonate?
alumane;silyl hydrogen carbonate has a molecular weight of 122.13 g/mol, XLogP of -2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;silyl hydrogen carbonate is sourced from PubChem (CID 173231811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).