2-[dichloro(methyl)silyl]ethyl 2-methylidenebutanoate

C8H14Cl2O2Si — CID 139621807

IUPAC2-[dichloro(methyl)silyl]ethyl 2-methylidenebutanoate
SMILESC=C(CC)C(=O)OCC[Si](C)(Cl)Cl
InChIInChI=1S/C8H14Cl2O2Si/c1-4-7(2)8(11)12-5-6-13(3,9)10/h2,4-6H2,1,3H3
InChIKeyAHVZVIPLTXURBB-UHFFFAOYSA-N
MW241.19 g/mol
LogP3.05
Rot. Bonds5

About 2-[dichloro(methyl)silyl]ethyl 2-methylidenebutanoate

2-[dichloro(methyl)silyl]ethyl 2-methylidenebutanoate (PubChem CID 139621807) has the molecular formula C8H14Cl2O2Si and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-[dichloro(methyl)silyl]ethyl 2-methylidenebutanoate.

Molecular Properties

Compound Name2-[dichloro(methyl)silyl]ethyl 2-methylidenebutanoate
PubChem CID139621807
Molecular FormulaC8H14Cl2O2Si
Molecular Weight241.19 g/mol
Exact Mass240.01
IUPAC Name2-[dichloro(methyl)silyl]ethyl 2-methylidenebutanoate
SMILESC=C(CC)C(=O)OCC[Si](C)(Cl)Cl
InChIInChI=1S/C8H14Cl2O2Si/c1-4-7(2)8(11)12-5-6-13(3,9)10/h2,4-6H2,1,3H3
InChIKeyAHVZVIPLTXURBB-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 53.05
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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Related Compounds

3-(Trichlorosilyl)propyl methacrylate
CID 81811
2-Propenoic acid, 2-methyl-, 3-(dichloromethylsilyl)propyl ester
CID 87569
3-(Dimethylchlorosilyl)propyl methacrylate
CID 2759527
Trichlorosilyl propyl methacrylate
CID 19837358
Propyl 2-methyl-3-trichlorosilylprop-2-enoate
CID 57239079
3-(Chlorodimethylsilyl)propyl methacrylate
CID 91207
(3E)-3-(trimethylsilylmethylidene)oxolan-2-one
CID 10080813
Dimethylchlorosilyl propyl methacrylate
CID 49822889
4-[Chloro(dimethyl)silyl]butyl 2-methylprop-2-enoate
CID 12487664
Ethyl 2-methylidene-5-trimethylsilylpent-4-ynoate
CID 14117245
2-[Dichloro(methyl)silyl]ethyl 2-methylprop-2-enoate
CID 17888154
3-[Dichloro(methoxy)silyl]propyl 2-methylprop-2-enoate
CID 17899870

Frequently Asked Questions

What is the IUPAC name of 2-[dichloro(methyl)silyl]ethyl 2-methylidenebutanoate?
The IUPAC name of 2-[dichloro(methyl)silyl]ethyl 2-methylidenebutanoate (CID 139621807) is 2-[dichloro(methyl)silyl]ethyl 2-methylidenebutanoate.
What is the SMILES notation for 2-[dichloro(methyl)silyl]ethyl 2-methylidenebutanoate?
The canonical SMILES for 2-[dichloro(methyl)silyl]ethyl 2-methylidenebutanoate is C=C(CC)C(=O)OCC[Si](C)(Cl)Cl.
What is the InChIKey of 2-[dichloro(methyl)silyl]ethyl 2-methylidenebutanoate?
The InChIKey is AHVZVIPLTXURBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2O2Si/c1-4-7(2)8(11)12-5-6-13(3,9)10/h2,4-6H2,1,3H3.
What are the key properties of 2-[dichloro(methyl)silyl]ethyl 2-methylidenebutanoate?
2-[dichloro(methyl)silyl]ethyl 2-methylidenebutanoate has a molecular weight of 241.19 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dichloro(methyl)silyl]ethyl 2-methylidenebutanoate is sourced from PubChem (CID 139621807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).