ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-6-methylidenecyclohex-3-ene-1-carboxylate

C17H30O3Si — CID 10519043

IUPACethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-6-methylidenecyclohex-3-ene-1-carboxylate
SMILESC=C1CC=CC(O[Si](C)(C)C(C)(C)C)C1(C)C(=O)OCC
InChIInChI=1S/C17H30O3Si/c1-9-19-15(18)17(6)13(2)11-10-12-14(17)20-21(7,8)16(3,4)5/h10,12,14H,2,9,11H2,1,3-8H3
InChIKeyBFWPIPVBABMINB-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.46
Rot. Bonds4

About ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-6-methylidenecyclohex-3-ene-1-carboxylate

ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-6-methylidenecyclohex-3-ene-1-carboxylate (PubChem CID 10519043) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-6-methylidenecyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-6-methylidenecyclohex-3-ene-1-carboxylate
PubChem CID10519043
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Nameethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-6-methylidenecyclohex-3-ene-1-carboxylate
SMILESC=C1CC=CC(O[Si](C)(C)C(C)(C)C)C1(C)C(=O)OCC
InChIInChI=1S/C17H30O3Si/c1-9-19-15(18)17(6)13(2)11-10-12-14(17)20-21(7,8)16(3,4)5/h10,12,14H,2,9,11H2,1,3-8H3
InChIKeyBFWPIPVBABMINB-UHFFFAOYSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-6-methylidenecyclohex-3-ene-1-carboxylate?
The IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-6-methylidenecyclohex-3-ene-1-carboxylate (CID 10519043) is ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-6-methylidenecyclohex-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-6-methylidenecyclohex-3-ene-1-carboxylate?
The canonical SMILES for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-6-methylidenecyclohex-3-ene-1-carboxylate is C=C1CC=CC(O[Si](C)(C)C(C)(C)C)C1(C)C(=O)OCC.
What is the InChIKey of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-6-methylidenecyclohex-3-ene-1-carboxylate?
The InChIKey is BFWPIPVBABMINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-9-19-15(18)17(6)13(2)11-10-12-14(17)20-21(7,8)16(3,4)5/h10,12,14H,2,9,11H2,1,3-8H3.
What are the key properties of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-6-methylidenecyclohex-3-ene-1-carboxylate?
ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-6-methylidenecyclohex-3-ene-1-carboxylate has a molecular weight of 310.51 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-6-methylidenecyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 10519043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).