cyclohexyl 3-dimethylsilyl-2-methylprop-2-enoate

C12H22O2Si — CID 174714345

IUPACcyclohexyl 3-dimethylsilyl-2-methylprop-2-enoate
SMILESCC(=C[SiH](C)C)C(=O)OC1CCCCC1
InChIInChI=1S/C12H22O2Si/c1-10(9-15(2)3)12(13)14-11-7-5-4-6-8-11/h9,11,15H,4-8H2,1-3H3
InChIKeyYXCDGAHAOPBOAO-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.83
Rot. Bonds3

About cyclohexyl 3-dimethylsilyl-2-methylprop-2-enoate

cyclohexyl 3-dimethylsilyl-2-methylprop-2-enoate (PubChem CID 174714345) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is cyclohexyl 3-dimethylsilyl-2-methylprop-2-enoate.

Molecular Properties

Compound Namecyclohexyl 3-dimethylsilyl-2-methylprop-2-enoate
PubChem CID174714345
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Namecyclohexyl 3-dimethylsilyl-2-methylprop-2-enoate
SMILESCC(=C[SiH](C)C)C(=O)OC1CCCCC1
InChIInChI=1S/C12H22O2Si/c1-10(9-15(2)3)12(13)14-11-7-5-4-6-8-11/h9,11,15H,4-8H2,1-3H3
InChIKeyYXCDGAHAOPBOAO-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.83
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'}

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Related Compounds

cyclopentyl (Z)-2-methylbut-2-enoate
CID 70402433
dicycloheptyl (Z)-2-methylbut-2-enedioate
CID 135353626
cyclohexyl 3-cyclohexyl-2-methylprop-2-enoate
CID 57027982
cycloheptadecyl acetate
CID 57215828
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
azane;cyclohexyl acetate
CID 174554221
cyclohexyl acetate;dihydrochloride
CID 140971070
(6-acetyloxycyclodecyl) acetate
CID 539578
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
5-cyclohexyloxy-4-methyl-5-oxopent-3-enoic acid
CID 174188795
lithium;carbanide;cyclohexyl acetate
CID 158677387
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-dimethylsilyl-2-methylprop-2-enoate?
The IUPAC name of cyclohexyl 3-dimethylsilyl-2-methylprop-2-enoate (CID 174714345) is cyclohexyl 3-dimethylsilyl-2-methylprop-2-enoate.
What is the SMILES notation for cyclohexyl 3-dimethylsilyl-2-methylprop-2-enoate?
The canonical SMILES for cyclohexyl 3-dimethylsilyl-2-methylprop-2-enoate is CC(=C[SiH](C)C)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 3-dimethylsilyl-2-methylprop-2-enoate?
The InChIKey is YXCDGAHAOPBOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-10(9-15(2)3)12(13)14-11-7-5-4-6-8-11/h9,11,15H,4-8H2,1-3H3.
What are the key properties of cyclohexyl 3-dimethylsilyl-2-methylprop-2-enoate?
cyclohexyl 3-dimethylsilyl-2-methylprop-2-enoate has a molecular weight of 226.39 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-dimethylsilyl-2-methylprop-2-enoate is sourced from PubChem (CID 174714345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).