ethyl 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate

C13H24O2Si — CID 12563472

IUPACethyl 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=C(C[Si](C)(C)C)CC1
InChIInChI=1S/C13H24O2Si/c1-5-15-13(14)12-8-6-11(7-9-12)10-16(2,3)4/h6,12H,5,7-10H2,1-4H3
InChIKeyTVFXPAMZRJQRDW-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.61
Rot. Bonds4

About ethyl 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate

ethyl 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate (PubChem CID 12563472) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is ethyl 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate
PubChem CID12563472
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Nameethyl 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=C(C[Si](C)(C)C)CC1
InChIInChI=1S/C13H24O2Si/c1-5-15-13(14)12-8-6-11(7-9-12)10-16(2,3)4/h6,12H,5,7-10H2,1-4H3
InChIKeyTVFXPAMZRJQRDW-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
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 ethyl 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate?
The IUPAC name of ethyl 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate (CID 12563472) is ethyl 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate?
The canonical SMILES for ethyl 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate is CCOC(=O)C1CC=C(C[Si](C)(C)C)CC1.
What is the InChIKey of ethyl 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate?
The InChIKey is TVFXPAMZRJQRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-5-15-13(14)12-8-6-11(7-9-12)10-16(2,3)4/h6,12H,5,7-10H2,1-4H3.
What are the key properties of ethyl 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate?
ethyl 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate has a molecular weight of 240.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 12563472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).