methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexen-1-yl)-1-methylcyclopropane-1-carboxylate

C18H32O3Si — CID 101028446

IUPACmethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexen-1-yl)-1-methylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(C)CC1(O[Si](C)(C)C(C)(C)C)C1=CCCCC1
InChIInChI=1S/C18H32O3Si/c1-16(2,3)22(6,7)21-18(14-11-9-8-10-12-14)13-17(18,4)15(19)20-5/h11H,8-10,12-13H2,1-7H3
InChIKeyYPEMMYAMPRDUHF-UHFFFAOYSA-N
MW324.54 g/mol
LogP4.83
Rot. Bonds4

About methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexen-1-yl)-1-methylcyclopropane-1-carboxylate

methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexen-1-yl)-1-methylcyclopropane-1-carboxylate (PubChem CID 101028446) 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-2-(cyclohexen-1-yl)-1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexen-1-yl)-1-methylcyclopropane-1-carboxylate
PubChem CID101028446
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexen-1-yl)-1-methylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(C)CC1(O[Si](C)(C)C(C)(C)C)C1=CCCCC1
InChIInChI=1S/C18H32O3Si/c1-16(2,3)22(6,7)21-18(14-11-9-8-10-12-14)13-17(18,4)15(19)20-5/h11H,8-10,12-13H2,1-7H3
InChIKeyYPEMMYAMPRDUHF-UHFFFAOYSA-N
XLogP4.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.83
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-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexen-1-yl)-1-methylcyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexen-1-yl)-1-methylcyclopropane-1-carboxylate (CID 101028446) is methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexen-1-yl)-1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexen-1-yl)-1-methylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexen-1-yl)-1-methylcyclopropane-1-carboxylate is COC(=O)C1(C)CC1(O[Si](C)(C)C(C)(C)C)C1=CCCCC1.
What is the InChIKey of methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexen-1-yl)-1-methylcyclopropane-1-carboxylate?
The InChIKey is YPEMMYAMPRDUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-16(2,3)22(6,7)21-18(14-11-9-8-10-12-14)13-17(18,4)15(19)20-5/h11H,8-10,12-13H2,1-7H3.
What are the key properties of methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexen-1-yl)-1-methylcyclopropane-1-carboxylate?
methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexen-1-yl)-1-methylcyclopropane-1-carboxylate has a molecular weight of 324.54 g/mol, XLogP of 4.83, 4 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-2-(cyclohexen-1-yl)-1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 101028446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).