methyl 2-(2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate

C17H30O3Si — CID 101202530

IUPACmethyl 2-(2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate
SMILESC=C(C)C1CC=C(C)C(O[Si](C)(C)C)(C(C)C(=O)OC)C1
InChIInChI=1S/C17H30O3Si/c1-12(2)15-10-9-13(3)17(11-15,20-21(6,7)8)14(4)16(18)19-5/h9,14-15H,1,10-11H2,2-8H3
InChIKeyZDJDNGAHHKGUHD-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.32
Rot. Bonds5

About methyl 2-(2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate

methyl 2-(2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate (PubChem CID 101202530) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is methyl 2-(2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate
PubChem CID101202530
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Namemethyl 2-(2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate
SMILESC=C(C)C1CC=C(C)C(O[Si](C)(C)C)(C(C)C(=O)OC)C1
InChIInChI=1S/C17H30O3Si/c1-12(2)15-10-9-13(3)17(11-15,20-21(6,7)8)14(4)16(18)19-5/h9,14-15H,1,10-11H2,2-8H3
InChIKeyZDJDNGAHHKGUHD-UHFFFAOYSA-N
XLogP4.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.32
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 methyl 2-(2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate?
The IUPAC name of methyl 2-(2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate (CID 101202530) is methyl 2-(2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate.
What is the SMILES notation for methyl 2-(2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate?
The canonical SMILES for methyl 2-(2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate is C=C(C)C1CC=C(C)C(O[Si](C)(C)C)(C(C)C(=O)OC)C1.
What is the InChIKey of methyl 2-(2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate?
The InChIKey is ZDJDNGAHHKGUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-12(2)15-10-9-13(3)17(11-15,20-21(6,7)8)14(4)16(18)19-5/h9,14-15H,1,10-11H2,2-8H3.
What are the key properties of methyl 2-(2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate?
methyl 2-(2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate has a molecular weight of 310.51 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate is sourced from PubChem (CID 101202530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).