methyl 2-(1,1-dimethylsilinan-3-yl)acetate

C10H20O2Si — CID 139777853

IUPACmethyl 2-(1,1-dimethylsilinan-3-yl)acetate
SMILESCOC(=O)CC1CCC[Si](C)(C)C1
InChIInChI=1S/C10H20O2Si/c1-12-10(11)7-9-5-4-6-13(2,3)8-9/h9H,4-8H2,1-3H3
InChIKeyXANDRYBABAOUBU-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.67
Rot. Bonds2

About methyl 2-(1,1-dimethylsilinan-3-yl)acetate

methyl 2-(1,1-dimethylsilinan-3-yl)acetate (PubChem CID 139777853) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is methyl 2-(1,1-dimethylsilinan-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1,1-dimethylsilinan-3-yl)acetate
PubChem CID139777853
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Namemethyl 2-(1,1-dimethylsilinan-3-yl)acetate
SMILESCOC(=O)CC1CCC[Si](C)(C)C1
InChIInChI=1S/C10H20O2Si/c1-12-10(11)7-9-5-4-6-13(2,3)8-9/h9H,4-8H2,1-3H3
InChIKeyXANDRYBABAOUBU-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.67
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 methyl 2-(1,1-dimethylsilinan-3-yl)acetate?
The IUPAC name of methyl 2-(1,1-dimethylsilinan-3-yl)acetate (CID 139777853) is methyl 2-(1,1-dimethylsilinan-3-yl)acetate.
What is the SMILES notation for methyl 2-(1,1-dimethylsilinan-3-yl)acetate?
The canonical SMILES for methyl 2-(1,1-dimethylsilinan-3-yl)acetate is COC(=O)CC1CCC[Si](C)(C)C1.
What is the InChIKey of methyl 2-(1,1-dimethylsilinan-3-yl)acetate?
The InChIKey is XANDRYBABAOUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-12-10(11)7-9-5-4-6-13(2,3)8-9/h9H,4-8H2,1-3H3.
What are the key properties of methyl 2-(1,1-dimethylsilinan-3-yl)acetate?
methyl 2-(1,1-dimethylsilinan-3-yl)acetate has a molecular weight of 200.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,1-dimethylsilinan-3-yl)acetate is sourced from PubChem (CID 139777853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).