diethyl 3-[[tert-butyl(dimethyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate

C19H36O4Si — CID 101154651

IUPACdiethyl 3-[[tert-butyl(dimethyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC(C)C(C[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H36O4Si/c1-9-22-16(20)19(17(21)23-10-2)11-14(3)15(12-19)13-24(7,8)18(4,5)6/h14-15H,9-13H2,1-8H3
InChIKeyUOYJNZMAXLJJNC-UHFFFAOYSA-N
MW356.58 g/mol
LogP4.65
Rot. Bonds6

About diethyl 3-[[tert-butyl(dimethyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate

diethyl 3-[[tert-butyl(dimethyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate (PubChem CID 101154651) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is diethyl 3-[[tert-butyl(dimethyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-[[tert-butyl(dimethyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
PubChem CID101154651
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Namediethyl 3-[[tert-butyl(dimethyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC(C)C(C[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H36O4Si/c1-9-22-16(20)19(17(21)23-10-2)11-14(3)15(12-19)13-24(7,8)18(4,5)6/h14-15H,9-13H2,1-8H3
InChIKeyUOYJNZMAXLJJNC-UHFFFAOYSA-N
XLogP4.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Dimethyl 3-(iodomethyl)-4-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 85305919
cis-diethyl (3S,4R)-3,4-dimethylcyclopentane-1,1-dicarboxylate
CID 134941051
Diethyl 3,3,4,4-tetramethylcyclopentane-1,1-dicarboxylate
CID 135069929
Dimethyl 3-[[dimethyl(propan-2-yloxy)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
CID 12026984
Trimethylsilyl 2-ethyl-2-{[(2-ethylbutanoyl)oxy]methyl}hexanoate
CID 91696533
Dimethyl 3-methyl-4-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate
CID 101154653
Bis(2-trimethylsilylethyl) 2-(2-methylpropyl)-2-propan-2-ylpropanedioate
CID 17921907
3-Trimethylsilylpropyl 2-(2,2,4-trimethylcyclopentyl)propanoate
CID 123331597
Bis(2-methylpropyl) 2,3-di(propan-2-yl)cyclopentane-1,1-dicarboxylate
CID 141320718
Dipropyl 2,3-di(propan-2-yl)cyclopentane-1,1-dicarboxylate
CID 141320723
Bis(2-methylpropyl) 3-propan-2-yl-2-propylcyclopentane-1,1-dicarboxylate
CID 141320731
Bis(2-methylpropyl) 2,3-dipropylcyclopentane-1,1-dicarboxylate
CID 141320733

Frequently Asked Questions

What is the IUPAC name of diethyl 3-[[tert-butyl(dimethyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate?
The IUPAC name of diethyl 3-[[tert-butyl(dimethyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate (CID 101154651) is diethyl 3-[[tert-butyl(dimethyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate.
What is the SMILES notation for diethyl 3-[[tert-butyl(dimethyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate?
The canonical SMILES for diethyl 3-[[tert-butyl(dimethyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC(C)C(C[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of diethyl 3-[[tert-butyl(dimethyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate?
The InChIKey is UOYJNZMAXLJJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-9-22-16(20)19(17(21)23-10-2)11-14(3)15(12-19)13-24(7,8)18(4,5)6/h14-15H,9-13H2,1-8H3.
What are the key properties of diethyl 3-[[tert-butyl(dimethyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate?
diethyl 3-[[tert-butyl(dimethyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate has a molecular weight of 356.58 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-[[tert-butyl(dimethyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 101154651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).