3-[chloro(dimethyl)silyl]propyl 2-methylidenebutanoate

C10H19ClO2Si — CID 22368599

IUPAC3-[chloro(dimethyl)silyl]propyl 2-methylidenebutanoate
SMILESC=C(CC)C(=O)OCCC[Si](C)(C)Cl
InChIInChI=1S/C10H19ClO2Si/c1-5-9(2)10(12)13-7-6-8-14(3,4)11/h2,5-8H2,1,3-4H3
InChIKeyBKMLQPAGGPCUMS-UHFFFAOYSA-N
MW234.80 g/mol
LogP3.33
Rot. Bonds6

About 3-[chloro(dimethyl)silyl]propyl 2-methylidenebutanoate

3-[chloro(dimethyl)silyl]propyl 2-methylidenebutanoate (PubChem CID 22368599) has the molecular formula C10H19ClO2Si and a molecular weight of 234.80 g/mol. Its IUPAC name is 3-[chloro(dimethyl)silyl]propyl 2-methylidenebutanoate.

Molecular Properties

Compound Name3-[chloro(dimethyl)silyl]propyl 2-methylidenebutanoate
PubChem CID22368599
Molecular FormulaC10H19ClO2Si
Molecular Weight234.80 g/mol
Exact Mass234.08
IUPAC Name3-[chloro(dimethyl)silyl]propyl 2-methylidenebutanoate
SMILESC=C(CC)C(=O)OCCC[Si](C)(C)Cl
InChIInChI=1S/C10H19ClO2Si/c1-5-9(2)10(12)13-7-6-8-14(3,4)11/h2,5-8H2,1,3-4H3
InChIKeyBKMLQPAGGPCUMS-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.80
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-[chloro(dimethyl)silyl]propyl 2-methylidenebutanoate?
The IUPAC name of 3-[chloro(dimethyl)silyl]propyl 2-methylidenebutanoate (CID 22368599) is 3-[chloro(dimethyl)silyl]propyl 2-methylidenebutanoate.
What is the SMILES notation for 3-[chloro(dimethyl)silyl]propyl 2-methylidenebutanoate?
The canonical SMILES for 3-[chloro(dimethyl)silyl]propyl 2-methylidenebutanoate is C=C(CC)C(=O)OCCC[Si](C)(C)Cl.
What is the InChIKey of 3-[chloro(dimethyl)silyl]propyl 2-methylidenebutanoate?
The InChIKey is BKMLQPAGGPCUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO2Si/c1-5-9(2)10(12)13-7-6-8-14(3,4)11/h2,5-8H2,1,3-4H3.
What are the key properties of 3-[chloro(dimethyl)silyl]propyl 2-methylidenebutanoate?
3-[chloro(dimethyl)silyl]propyl 2-methylidenebutanoate has a molecular weight of 234.80 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(dimethyl)silyl]propyl 2-methylidenebutanoate is sourced from PubChem (CID 22368599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).