2-[chloro(dimethyl)silyl]ethyl 2-methylidenebutanoate

C9H17ClO2Si — CID 22368601

IUPAC2-[chloro(dimethyl)silyl]ethyl 2-methylidenebutanoate
SMILESC=C(CC)C(=O)OCC[Si](C)(C)Cl
InChIInChI=1S/C9H17ClO2Si/c1-5-8(2)9(11)12-6-7-13(3,4)10/h2,5-7H2,1,3-4H3
InChIKeyCGVJBVPIQCLWBL-UHFFFAOYSA-N
MW220.77 g/mol
LogP2.94
Rot. Bonds5

About 2-[chloro(dimethyl)silyl]ethyl 2-methylidenebutanoate

2-[chloro(dimethyl)silyl]ethyl 2-methylidenebutanoate (PubChem CID 22368601) has the molecular formula C9H17ClO2Si and a molecular weight of 220.77 g/mol. Its IUPAC name is 2-[chloro(dimethyl)silyl]ethyl 2-methylidenebutanoate.

Molecular Properties

Compound Name2-[chloro(dimethyl)silyl]ethyl 2-methylidenebutanoate
PubChem CID22368601
Molecular FormulaC9H17ClO2Si
Molecular Weight220.77 g/mol
Exact Mass220.07
IUPAC Name2-[chloro(dimethyl)silyl]ethyl 2-methylidenebutanoate
SMILESC=C(CC)C(=O)OCC[Si](C)(C)Cl
InChIInChI=1S/C9H17ClO2Si/c1-5-8(2)9(11)12-6-7-13(3,4)10/h2,5-7H2,1,3-4H3
InChIKeyCGVJBVPIQCLWBL-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.77
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[chloro(dimethyl)silyl]ethyl 2-methylidenebutanoate?
The IUPAC name of 2-[chloro(dimethyl)silyl]ethyl 2-methylidenebutanoate (CID 22368601) is 2-[chloro(dimethyl)silyl]ethyl 2-methylidenebutanoate.
What is the SMILES notation for 2-[chloro(dimethyl)silyl]ethyl 2-methylidenebutanoate?
The canonical SMILES for 2-[chloro(dimethyl)silyl]ethyl 2-methylidenebutanoate is C=C(CC)C(=O)OCC[Si](C)(C)Cl.
What is the InChIKey of 2-[chloro(dimethyl)silyl]ethyl 2-methylidenebutanoate?
The InChIKey is CGVJBVPIQCLWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO2Si/c1-5-8(2)9(11)12-6-7-13(3,4)10/h2,5-7H2,1,3-4H3.
What are the key properties of 2-[chloro(dimethyl)silyl]ethyl 2-methylidenebutanoate?
2-[chloro(dimethyl)silyl]ethyl 2-methylidenebutanoate has a molecular weight of 220.77 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(dimethyl)silyl]ethyl 2-methylidenebutanoate is sourced from PubChem (CID 22368601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).