cyclohexyl 2-trimethylsilylprop-2-enoate

C12H22O2Si — CID 139634302

IUPACcyclohexyl 2-trimethylsilylprop-2-enoate
SMILESC=C(C(=O)OC1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-10(15(2,3)4)12(13)14-11-8-6-5-7-9-11/h11H,1,5-9H2,2-4H3
InChIKeyNLCMXNXOAAKIPP-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.30
Rot. Bonds3

About cyclohexyl 2-trimethylsilylprop-2-enoate

cyclohexyl 2-trimethylsilylprop-2-enoate (PubChem CID 139634302) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is cyclohexyl 2-trimethylsilylprop-2-enoate.

Molecular Properties

Compound Namecyclohexyl 2-trimethylsilylprop-2-enoate
PubChem CID139634302
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Namecyclohexyl 2-trimethylsilylprop-2-enoate
SMILESC=C(C(=O)OC1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-10(15(2,3)4)12(13)14-11-8-6-5-7-9-11/h11H,1,5-9H2,2-4H3
InChIKeyNLCMXNXOAAKIPP-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
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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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-trimethylsilylprop-2-enoate?
The IUPAC name of cyclohexyl 2-trimethylsilylprop-2-enoate (CID 139634302) is cyclohexyl 2-trimethylsilylprop-2-enoate.
What is the SMILES notation for cyclohexyl 2-trimethylsilylprop-2-enoate?
The canonical SMILES for cyclohexyl 2-trimethylsilylprop-2-enoate is C=C(C(=O)OC1CCCCC1)[Si](C)(C)C.
What is the InChIKey of cyclohexyl 2-trimethylsilylprop-2-enoate?
The InChIKey is NLCMXNXOAAKIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-10(15(2,3)4)12(13)14-11-8-6-5-7-9-11/h11H,1,5-9H2,2-4H3.
What are the key properties of cyclohexyl 2-trimethylsilylprop-2-enoate?
cyclohexyl 2-trimethylsilylprop-2-enoate has a molecular weight of 226.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-trimethylsilylprop-2-enoate is sourced from PubChem (CID 139634302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).