(2-aminosilyloxan-2-yl) hydrogen carbonate

C6H13NO4Si — CID 173333928

IUPAC(2-aminosilyloxan-2-yl) hydrogen carbonate
SMILESN[SiH2]C1(OC(=O)O)CCCCO1
InChIInChI=1S/C6H13NO4Si/c7-12-6(11-5(8)9)3-1-2-4-10-6/h1-4,7,12H2,(H,8,9)
InChIKeyCEWINCKUEPGYNR-UHFFFAOYSA-N
MW191.26 g/mol
LogP-0.42
Rot. Bonds2

About (2-aminosilyloxan-2-yl) hydrogen carbonate

(2-aminosilyloxan-2-yl) hydrogen carbonate (PubChem CID 173333928) has the molecular formula C6H13NO4Si and a molecular weight of 191.26 g/mol. Its IUPAC name is (2-aminosilyloxan-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-aminosilyloxan-2-yl) hydrogen carbonate
PubChem CID173333928
Molecular FormulaC6H13NO4Si
Molecular Weight191.26 g/mol
Exact Mass191.06
IUPAC Name(2-aminosilyloxan-2-yl) hydrogen carbonate
SMILESN[SiH2]C1(OC(=O)O)CCCCO1
InChIInChI=1S/C6H13NO4Si/c7-12-6(11-5(8)9)3-1-2-4-10-6/h1-4,7,12H2,(H,8,9)
InChIKeyCEWINCKUEPGYNR-UHFFFAOYSA-N
XLogP-0.42
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methylsilyloxan-2-yl) 2-methylbut-2-enoate
CID 173390482
(1-hydroxycyclohexyl) hydrogen carbonate
CID 69015905
2-aminosilyl-2-methyloxane
CID 123466383
2-formyloxane-2-carboxylic acid
CID 141434966
(1-aminocyclopropyl) hydrogen carbonate
CID 23070284
oxolane-2,2-dicarboxylic acid;hydrochloride
CID 69015616
(2-silyloxan-2-yl) 4-amino-4-oxobut-2-enoate
CID 123835596
ethane;2-methyloxane-2-carboxamide
CID 171543445
(4-carboxyoxy-1-bicyclo[2.2.2]octanyl) hydrogen carbonate
CID 70662194
(2R)-2-(methoxymethyl)oxane-2-carboxylic acid
CID 129412517
ethyl (2S)-2-(difluoromethyl)oxane-2-carboxylate
CID 124673562
(2-hydroxyoxan-2-yl) 3-methylbut-2-enoate
CID 150566359

Frequently Asked Questions

What is the IUPAC name of (2-aminosilyloxan-2-yl) hydrogen carbonate?
The IUPAC name of (2-aminosilyloxan-2-yl) hydrogen carbonate (CID 173333928) is (2-aminosilyloxan-2-yl) hydrogen carbonate.
What is the SMILES notation for (2-aminosilyloxan-2-yl) hydrogen carbonate?
The canonical SMILES for (2-aminosilyloxan-2-yl) hydrogen carbonate is N[SiH2]C1(OC(=O)O)CCCCO1.
What is the InChIKey of (2-aminosilyloxan-2-yl) hydrogen carbonate?
The InChIKey is CEWINCKUEPGYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4Si/c7-12-6(11-5(8)9)3-1-2-4-10-6/h1-4,7,12H2,(H,8,9).
What are the key properties of (2-aminosilyloxan-2-yl) hydrogen carbonate?
(2-aminosilyloxan-2-yl) hydrogen carbonate has a molecular weight of 191.26 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminosilyloxan-2-yl) hydrogen carbonate is sourced from PubChem (CID 173333928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).