(1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate

C8H14Cl2O2Si — CID 173234354

IUPAC(1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)C([SiH3])(Cl)Cl
InChIInChI=1S/C8H14Cl2O2Si/c1-4-6(8(9,10)13)12-7(11)5(2)3/h6H,2,4H2,1,3,13H3
InChIKeyLZDPRKJSUPLNMU-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.38
Rot. Bonds4

About (1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate

(1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate (PubChem CID 173234354) has the molecular formula C8H14Cl2O2Si and a molecular weight of 241.19 g/mol. Its IUPAC name is (1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate
PubChem CID173234354
Molecular FormulaC8H14Cl2O2Si
Molecular Weight241.19 g/mol
Exact Mass240.01
IUPAC Name(1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)C([SiH3])(Cl)Cl
InChIInChI=1S/C8H14Cl2O2Si/c1-4-6(8(9,10)13)12-7(11)5(2)3/h6H,2,4H2,1,3,13H3
InChIKeyLZDPRKJSUPLNMU-UHFFFAOYSA-N
XLogP1.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;(4-chloro-4-ethylhexan-3-yl) 2-methylprop-2-enoate
CID 87147317
(4,4-difluoro-5-oxoheptan-3-yl) 2-methylprop-2-enoate
CID 152616428
[4-hydroxy-5,5-dimethyl-4-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate
CID 156636376
1-phosphanylpropyl 2-methylprop-2-enoate
CID 155643080
[2-acetyloxy-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-yl] 2-methylprop-2-enoate
CID 118548748
azane;(3-chloro-3-methylbutan-2-yl) 2-methylprop-2-enoate
CID 87146988
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
[1-[3,3-dimethyl-2-(2-methylprop-2-enoyloxy)butyl]peroxy-3,3-dimethylbutan-2-yl] 2-methylprop-2-enoate
CID 88658910
butyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate
CID 86663489
2-O-(4-chloro-4-ethylhexan-3-yl) 1-O-methyl oxalate
CID 174913929
(3-chloro-3-methyl-1-phenylbutan-2-yl) 2-methylprop-2-enoate
CID 68660324
1-(tert-butylamino)propyl 2-methylprop-2-enoate
CID 18325515

Frequently Asked Questions

What is the IUPAC name of (1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate (CID 173234354) is (1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)C([SiH3])(Cl)Cl.
What is the InChIKey of (1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate?
The InChIKey is LZDPRKJSUPLNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2O2Si/c1-4-6(8(9,10)13)12-7(11)5(2)3/h6H,2,4H2,1,3,13H3.
What are the key properties of (1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate?
(1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate has a molecular weight of 241.19 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 173234354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).