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

C12H23ClO2Si — CID 22368591

IUPAC3-[chloro(dimethyl)silyl]propyl 2-methylidenehexanoate
SMILESC=C(CCCC)C(=O)OCCC[Si](C)(C)Cl
InChIInChI=1S/C12H23ClO2Si/c1-5-6-8-11(2)12(14)15-9-7-10-16(3,4)13/h2,5-10H2,1,3-4H3
InChIKeyCBUFFAXIDZYIMY-UHFFFAOYSA-N
MW262.85 g/mol
LogP4.11
Rot. Bonds8

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

3-[chloro(dimethyl)silyl]propyl 2-methylidenehexanoate (PubChem CID 22368591) has the molecular formula C12H23ClO2Si and a molecular weight of 262.85 g/mol. Its IUPAC name is 3-[chloro(dimethyl)silyl]propyl 2-methylidenehexanoate.

Molecular Properties

Compound Name3-[chloro(dimethyl)silyl]propyl 2-methylidenehexanoate
PubChem CID22368591
Molecular FormulaC12H23ClO2Si
Molecular Weight262.85 g/mol
Exact Mass262.12
IUPAC Name3-[chloro(dimethyl)silyl]propyl 2-methylidenehexanoate
SMILESC=C(CCCC)C(=O)OCCC[Si](C)(C)Cl
InChIInChI=1S/C12H23ClO2Si/c1-5-6-8-11(2)12(14)15-9-7-10-16(3,4)13/h2,5-10H2,1,3-4H3
InChIKeyCBUFFAXIDZYIMY-UHFFFAOYSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.85
LogP ≤ 54.11
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-methylidenehexanoate?
The IUPAC name of 3-[chloro(dimethyl)silyl]propyl 2-methylidenehexanoate (CID 22368591) is 3-[chloro(dimethyl)silyl]propyl 2-methylidenehexanoate.
What is the SMILES notation for 3-[chloro(dimethyl)silyl]propyl 2-methylidenehexanoate?
The canonical SMILES for 3-[chloro(dimethyl)silyl]propyl 2-methylidenehexanoate is C=C(CCCC)C(=O)OCCC[Si](C)(C)Cl.
What is the InChIKey of 3-[chloro(dimethyl)silyl]propyl 2-methylidenehexanoate?
The InChIKey is CBUFFAXIDZYIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClO2Si/c1-5-6-8-11(2)12(14)15-9-7-10-16(3,4)13/h2,5-10H2,1,3-4H3.
What are the key properties of 3-[chloro(dimethyl)silyl]propyl 2-methylidenehexanoate?
3-[chloro(dimethyl)silyl]propyl 2-methylidenehexanoate has a molecular weight of 262.85 g/mol, XLogP of 4.11, 8 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-methylidenehexanoate is sourced from PubChem (CID 22368591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).