dimethyl 3-methyl-4-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate

C20H38O4Si — CID 101154653

IUPACdimethyl 3-methyl-4-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC(C)C(C[Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C20H38O4Si/c1-13(2)25(14(3)4,15(5)6)12-17-11-20(10-16(17)7,18(21)23-8)19(22)24-9/h13-17H,10-12H2,1-9H3
InChIKeyUIVCNVFAILZSHT-UHFFFAOYSA-N
MW370.61 g/mol
LogP5.04
Rot. Bonds7

About dimethyl 3-methyl-4-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate

dimethyl 3-methyl-4-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate (PubChem CID 101154653) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is dimethyl 3-methyl-4-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methyl-4-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate
PubChem CID101154653
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Namedimethyl 3-methyl-4-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC(C)C(C[Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C20H38O4Si/c1-13(2)25(14(3)4,15(5)6)12-17-11-20(10-16(17)7,18(21)23-8)19(22)24-9/h13-17H,10-12H2,1-9H3
InChIKeyUIVCNVFAILZSHT-UHFFFAOYSA-N
XLogP5.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.61
LogP ≤ 55.04
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

cis-dimethyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
CID 11783022
trans-dimethyl (3R,4R)-3-ethyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 101039601
cis-dimethyl (3S,4R)-3-(iodomethyl)-4-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 101176905
trans-dimethyl (3S,4R)-3-(2-triethylsilylethyl)-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 10671515
trans-dimethyl (3S,4R)-3-(2-methoxy-2-oxoethyl)-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 10500383
trans-dimethyl (3S,4S)-3-pentyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 102006866
dimethyl 6-oxabicyclo[3.1.0]hexane-3,3-dicarboxylate
CID 14970965
trans-dimethyl (3S,4S)-3-ethyl-4-(4-triethylsilylbutyl)cyclopentane-1,1-dicarboxylate
CID 177499178
methyl 1-(2-methylpropanoyl)cyclopropane-1-carboxylate
CID 79554685
methyl 1-butanoyl-3-methylcyclobutane-1-carboxylate
CID 79560514
tetramethyl 4-oxocyclohexane-1,1,3,5-tetracarboxylate
CID 574938
methyl 1-hydroxy-3,4-dimethylcyclohexane-1-carboxylate
CID 64744701

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methyl-4-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl 3-methyl-4-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate (CID 101154653) is dimethyl 3-methyl-4-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 3-methyl-4-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 3-methyl-4-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)CC(C)C(C[Si](C(C)C)(C(C)C)C(C)C)C1.
What is the InChIKey of dimethyl 3-methyl-4-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate?
The InChIKey is UIVCNVFAILZSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-13(2)25(14(3)4,15(5)6)12-17-11-20(10-16(17)7,18(21)23-8)19(22)24-9/h13-17H,10-12H2,1-9H3.
What are the key properties of dimethyl 3-methyl-4-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate?
dimethyl 3-methyl-4-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate has a molecular weight of 370.61 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methyl-4-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 101154653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).