methyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohept-2-ene-1-carboxylate

C18H32O3Si — CID 11324801

IUPACmethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohept-2-ene-1-carboxylate
SMILESC=CCC1(C(=O)OC)CCCCC=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3Si/c1-8-13-18(16(19)20-5)14-11-9-10-12-15(18)21-22(6,7)17(2,3)4/h8,12H,1,9-11,13-14H2,2-7H3
InChIKeyHUYMYYMLCFYZAI-UHFFFAOYSA-N
MW324.54 g/mol
LogP5.20
Rot. Bonds5

About methyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohept-2-ene-1-carboxylate

methyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohept-2-ene-1-carboxylate (PubChem CID 11324801) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is methyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohept-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohept-2-ene-1-carboxylate
PubChem CID11324801
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohept-2-ene-1-carboxylate
SMILESC=CCC1(C(=O)OC)CCCCC=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3Si/c1-8-13-18(16(19)20-5)14-11-9-10-12-15(18)21-22(6,7)17(2,3)4/h8,12H,1,9-11,13-14H2,2-7H3
InChIKeyHUYMYYMLCFYZAI-UHFFFAOYSA-N
XLogP5.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.54
LogP ≤ 55.20
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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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol
CID 135044795
CID 155934986
CID 155934986
methyl 1-prop-2-enylcyclohexane-1-carboxylate
CID 10932067
methyl 3-prop-2-enyl-2H-1-benzofuran-3-carboxylate
CID 134963352
methyl 1-(3-methylbut-3-enyl)-2-(trifluoromethylsulfonyloxy)cyclohex-2-ene-1-carboxylate
CID 101415145
methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2-prop-2-enyloxolane-2-carboxylate
CID 102142362
methyl N-[(3aR,4S,7aS)-6-[tert-butyl(dimethyl)silyl]oxy-3a-formyl-1,2,3,4,7,7a-hexahydroinden-4-yl]-N-prop-2-enylcarbamate
CID 102054393
methyl N-[(1S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-6-methylcyclohex-2-en-1-yl]-N-prop-2-enylcarbamate
CID 101073438
tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane
CID 66844818
tert-butyl-(cyclododecen-1-yloxy)-dimethylsilane
CID 71357243
ethyl (1S)-2-oxo-1-prop-2-enylcyclohexane-1-carboxylate
CID 11074660
2-(2-methoxy-1-methylcyclohex-2-en-1-yl)pent-4-enoic acid
CID 20549585

Frequently Asked Questions

What is the IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohept-2-ene-1-carboxylate?
The IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohept-2-ene-1-carboxylate (CID 11324801) is methyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohept-2-ene-1-carboxylate.
What is the SMILES notation for methyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohept-2-ene-1-carboxylate?
The canonical SMILES for methyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohept-2-ene-1-carboxylate is C=CCC1(C(=O)OC)CCCCC=C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohept-2-ene-1-carboxylate?
The InChIKey is HUYMYYMLCFYZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-8-13-18(16(19)20-5)14-11-9-10-12-15(18)21-22(6,7)17(2,3)4/h8,12H,1,9-11,13-14H2,2-7H3.
What are the key properties of methyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohept-2-ene-1-carboxylate?
methyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohept-2-ene-1-carboxylate has a molecular weight of 324.54 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohept-2-ene-1-carboxylate is sourced from PubChem (CID 11324801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).