methyl 2-trimethylsilylcyclohex-3-ene-1-carboxylate

C11H20O2Si — CID 12726625

IUPACmethyl 2-trimethylsilylcyclohex-3-ene-1-carboxylate
SMILESCOC(=O)C1CCC=CC1[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-13-11(12)9-7-5-6-8-10(9)14(2,3)4/h6,8-10H,5,7H2,1-4H3
InChIKeyBDBSQDWNANVGSM-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.83
Rot. Bonds2

About methyl 2-trimethylsilylcyclohex-3-ene-1-carboxylate

methyl 2-trimethylsilylcyclohex-3-ene-1-carboxylate (PubChem CID 12726625) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is methyl 2-trimethylsilylcyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-trimethylsilylcyclohex-3-ene-1-carboxylate
PubChem CID12726625
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Namemethyl 2-trimethylsilylcyclohex-3-ene-1-carboxylate
SMILESCOC(=O)C1CCC=CC1[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-13-11(12)9-7-5-6-8-10(9)14(2,3)4/h6,8-10H,5,7H2,1-4H3
InChIKeyBDBSQDWNANVGSM-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-trimethylsilylcyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl 2-trimethylsilylcyclohex-3-ene-1-carboxylate (CID 12726625) is methyl 2-trimethylsilylcyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl 2-trimethylsilylcyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl 2-trimethylsilylcyclohex-3-ene-1-carboxylate is COC(=O)C1CCC=CC1[Si](C)(C)C.
What is the InChIKey of methyl 2-trimethylsilylcyclohex-3-ene-1-carboxylate?
The InChIKey is BDBSQDWNANVGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-13-11(12)9-7-5-6-8-10(9)14(2,3)4/h6,8-10H,5,7H2,1-4H3.
What are the key properties of methyl 2-trimethylsilylcyclohex-3-ene-1-carboxylate?
methyl 2-trimethylsilylcyclohex-3-ene-1-carboxylate has a molecular weight of 212.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-trimethylsilylcyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 12726625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).