silinan-1-yl 2,2-dimethylpropanoate

C10H20O2Si — CID 174889812

IUPACsilinan-1-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[SiH]1CCCCC1
InChIInChI=1S/C10H20O2Si/c1-10(2,3)9(11)12-13-7-5-4-6-8-13/h13H,4-8H2,1-3H3
InChIKeyJHDPHGICLFSSCY-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.48
Rot. Bonds1

About silinan-1-yl 2,2-dimethylpropanoate

silinan-1-yl 2,2-dimethylpropanoate (PubChem CID 174889812) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is silinan-1-yl 2,2-dimethylpropanoate.

Molecular Properties

Compound Namesilinan-1-yl 2,2-dimethylpropanoate
PubChem CID174889812
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Namesilinan-1-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[SiH]1CCCCC1
InChIInChI=1S/C10H20O2Si/c1-10(2,3)9(11)12-13-7-5-4-6-8-13/h13H,4-8H2,1-3H3
InChIKeyJHDPHGICLFSSCY-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 silinan-1-yl 2,2-dimethylpropanoate?
The IUPAC name of silinan-1-yl 2,2-dimethylpropanoate (CID 174889812) is silinan-1-yl 2,2-dimethylpropanoate.
What is the SMILES notation for silinan-1-yl 2,2-dimethylpropanoate?
The canonical SMILES for silinan-1-yl 2,2-dimethylpropanoate is CC(C)(C)C(=O)O[SiH]1CCCCC1.
What is the InChIKey of silinan-1-yl 2,2-dimethylpropanoate?
The InChIKey is JHDPHGICLFSSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-10(2,3)9(11)12-13-7-5-4-6-8-13/h13H,4-8H2,1-3H3.
What are the key properties of silinan-1-yl 2,2-dimethylpropanoate?
silinan-1-yl 2,2-dimethylpropanoate has a molecular weight of 200.35 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silinan-1-yl 2,2-dimethylpropanoate is sourced from PubChem (CID 174889812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).