cyclohexyl 2-(trimethylsilylmethyl)prop-2-enoate

C13H24O2Si — CID 66947933

IUPACcyclohexyl 2-(trimethylsilylmethyl)prop-2-enoate
SMILESC=C(C[Si](C)(C)C)C(=O)OC1CCCCC1
InChIInChI=1S/C13H24O2Si/c1-11(10-16(2,3)4)13(14)15-12-8-6-5-7-9-12/h12H,1,5-10H2,2-4H3
InChIKeyCGGFLUWLTBUMSH-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.76
Rot. Bonds4

About cyclohexyl 2-(trimethylsilylmethyl)prop-2-enoate

cyclohexyl 2-(trimethylsilylmethyl)prop-2-enoate (PubChem CID 66947933) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is cyclohexyl 2-(trimethylsilylmethyl)prop-2-enoate.

Molecular Properties

Compound Namecyclohexyl 2-(trimethylsilylmethyl)prop-2-enoate
PubChem CID66947933
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Namecyclohexyl 2-(trimethylsilylmethyl)prop-2-enoate
SMILESC=C(C[Si](C)(C)C)C(=O)OC1CCCCC1
InChIInChI=1S/C13H24O2Si/c1-11(10-16(2,3)4)13(14)15-12-8-6-5-7-9-12/h12H,1,5-10H2,2-4H3
InChIKeyCGGFLUWLTBUMSH-UHFFFAOYSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.76
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

cyclododecyl 2-methylidenebutanoate
CID 57244431
cyclohexyl 2-trimethylsilylprop-2-enoate
CID 139634302
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
4-O-cyclohexyl 1-O-(1,1-dioxothietan-3-yl) 2-methylidenebutanedioate
CID 155255692
cyclohexyl 2-tributylsilylprop-2-enoate
CID 139634255
cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide
CID 174857281
butane-2,2-diol;cyclohexyl 2-methylprop-2-enoate
CID 174949119
ethyl 2-cyclohexyloxyprop-2-enoate
CID 66651872

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(trimethylsilylmethyl)prop-2-enoate?
The IUPAC name of cyclohexyl 2-(trimethylsilylmethyl)prop-2-enoate (CID 66947933) is cyclohexyl 2-(trimethylsilylmethyl)prop-2-enoate.
What is the SMILES notation for cyclohexyl 2-(trimethylsilylmethyl)prop-2-enoate?
The canonical SMILES for cyclohexyl 2-(trimethylsilylmethyl)prop-2-enoate is C=C(C[Si](C)(C)C)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(trimethylsilylmethyl)prop-2-enoate?
The InChIKey is CGGFLUWLTBUMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-11(10-16(2,3)4)13(14)15-12-8-6-5-7-9-12/h12H,1,5-10H2,2-4H3.
What are the key properties of cyclohexyl 2-(trimethylsilylmethyl)prop-2-enoate?
cyclohexyl 2-(trimethylsilylmethyl)prop-2-enoate has a molecular weight of 240.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(trimethylsilylmethyl)prop-2-enoate is sourced from PubChem (CID 66947933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).