dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxycyclohexene-1,2-dicarboxylate

C18H32O7Si — CID 101337417

IUPACdimethyl 4-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxycyclohexene-1,2-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)CC(OC)(O[Si](C)(C)C(C)(C)C)C(OC)C1
InChIInChI=1S/C18H32O7Si/c1-17(2,3)26(8,9)25-18(24-7)11-13(16(20)23-6)12(15(19)22-5)10-14(18)21-4/h14H,10-11H2,1-9H3
InChIKeyCFWUOSJIXGZCCI-UHFFFAOYSA-N
MW388.53 g/mol
LogP2.80
Rot. Bonds6

About dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxycyclohexene-1,2-dicarboxylate

dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxycyclohexene-1,2-dicarboxylate (PubChem CID 101337417) has the molecular formula C18H32O7Si and a molecular weight of 388.53 g/mol. Its IUPAC name is dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxycyclohexene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxycyclohexene-1,2-dicarboxylate
PubChem CID101337417
Molecular FormulaC18H32O7Si
Molecular Weight388.53 g/mol
Exact Mass388.19
IUPAC Namedimethyl 4-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxycyclohexene-1,2-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)CC(OC)(O[Si](C)(C)C(C)(C)C)C(OC)C1
InChIInChI=1S/C18H32O7Si/c1-17(2,3)26(8,9)25-18(24-7)11-13(16(20)23-6)12(15(19)22-5)10-14(18)21-4/h14H,10-11H2,1-9H3
InChIKeyCFWUOSJIXGZCCI-UHFFFAOYSA-N
XLogP2.80
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxycyclohexene-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxycyclohexene-1,2-dicarboxylate (CID 101337417) is dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxycyclohexene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxycyclohexene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxycyclohexene-1,2-dicarboxylate is COC(=O)C1=C(C(=O)OC)CC(OC)(O[Si](C)(C)C(C)(C)C)C(OC)C1.
What is the InChIKey of dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxycyclohexene-1,2-dicarboxylate?
The InChIKey is CFWUOSJIXGZCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O7Si/c1-17(2,3)26(8,9)25-18(24-7)11-13(16(20)23-6)12(15(19)22-5)10-14(18)21-4/h14H,10-11H2,1-9H3.
What are the key properties of dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxycyclohexene-1,2-dicarboxylate?
dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxycyclohexene-1,2-dicarboxylate has a molecular weight of 388.53 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxycyclohexene-1,2-dicarboxylate is sourced from PubChem (CID 101337417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).