3,3-bis(dimethylsilyl)propylcarbamic acid

C8H21NO2Si2 — CID 173292919

IUPAC3,3-bis(dimethylsilyl)propylcarbamic acid
SMILESC[SiH](C)C(CCNC(=O)O)[SiH](C)C
InChIInChI=1S/C8H21NO2Si2/c1-12(2)7(13(3)4)5-6-9-8(10)11/h7,9,12-13H,5-6H2,1-4H3,(H,10,11)
InChIKeyRGVIZEIEVGNHJB-UHFFFAOYSA-N
MW219.43 g/mol
LogP1.53
Rot. Bonds5

About 3,3-bis(dimethylsilyl)propylcarbamic acid

3,3-bis(dimethylsilyl)propylcarbamic acid (PubChem CID 173292919) has the molecular formula C8H21NO2Si2 and a molecular weight of 219.43 g/mol. Its IUPAC name is 3,3-bis(dimethylsilyl)propylcarbamic acid.

Molecular Properties

Compound Name3,3-bis(dimethylsilyl)propylcarbamic acid
PubChem CID173292919
Molecular FormulaC8H21NO2Si2
Molecular Weight219.43 g/mol
Exact Mass219.11
IUPAC Name3,3-bis(dimethylsilyl)propylcarbamic acid
SMILESC[SiH](C)C(CCNC(=O)O)[SiH](C)C
InChIInChI=1S/C8H21NO2Si2/c1-12(2)7(13(3)4)5-6-9-8(10)11/h7,9,12-13H,5-6H2,1-4H3,(H,10,11)
InChIKeyRGVIZEIEVGNHJB-UHFFFAOYSA-N
XLogP1.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(dimethylsilyl)propylcarbamic acid?
The IUPAC name of 3,3-bis(dimethylsilyl)propylcarbamic acid (CID 173292919) is 3,3-bis(dimethylsilyl)propylcarbamic acid.
What is the SMILES notation for 3,3-bis(dimethylsilyl)propylcarbamic acid?
The canonical SMILES for 3,3-bis(dimethylsilyl)propylcarbamic acid is C[SiH](C)C(CCNC(=O)O)[SiH](C)C.
What is the InChIKey of 3,3-bis(dimethylsilyl)propylcarbamic acid?
The InChIKey is RGVIZEIEVGNHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NO2Si2/c1-12(2)7(13(3)4)5-6-9-8(10)11/h7,9,12-13H,5-6H2,1-4H3,(H,10,11).
What are the key properties of 3,3-bis(dimethylsilyl)propylcarbamic acid?
3,3-bis(dimethylsilyl)propylcarbamic acid has a molecular weight of 219.43 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(dimethylsilyl)propylcarbamic acid is sourced from PubChem (CID 173292919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).