dimethyl (2R,6R)-4-oxo-2,6-bis(trimethylsilyloxy)heptanedioate

C15H30O7Si2 — CID 102505680

IUPACdimethyl (2R,6R)-4-oxo-2,6-bis(trimethylsilyloxy)heptanedioate
SMILESCOC(=O)[C@@H](CC(=O)C[C@@H](O[Si](C)(C)C)C(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C15H30O7Si2/c1-19-14(17)12(21-23(3,4)5)9-11(16)10-13(15(18)20-2)22-24(6,7)8/h12-13H,9-10H2,1-8H3/t12-,13-/m1/s1
InChIKeyOPIGFKAMBAZSME-CHWSQXEVSA-N
MW378.57 g/mol
LogP2.12
Rot. Bonds10

About dimethyl (2R,6R)-4-oxo-2,6-bis(trimethylsilyloxy)heptanedioate

dimethyl (2R,6R)-4-oxo-2,6-bis(trimethylsilyloxy)heptanedioate (PubChem CID 102505680) has the molecular formula C15H30O7Si2 and a molecular weight of 378.57 g/mol. Its IUPAC name is dimethyl (2R,6R)-4-oxo-2,6-bis(trimethylsilyloxy)heptanedioate.

Molecular Properties

Compound Namedimethyl (2R,6R)-4-oxo-2,6-bis(trimethylsilyloxy)heptanedioate
PubChem CID102505680
Molecular FormulaC15H30O7Si2
Molecular Weight378.57 g/mol
Exact Mass378.15
IUPAC Namedimethyl (2R,6R)-4-oxo-2,6-bis(trimethylsilyloxy)heptanedioate
SMILESCOC(=O)[C@@H](CC(=O)C[C@@H](O[Si](C)(C)C)C(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C15H30O7Si2/c1-19-14(17)12(21-23(3,4)5)9-11(16)10-13(15(18)20-2)22-24(6,7)8/h12-13H,9-10H2,1-8H3/t12-,13-/m1/s1
InChIKeyOPIGFKAMBAZSME-CHWSQXEVSA-N
XLogP2.12
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.57
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-Trimethylsilyloxyheptanedioic acid, dimethyl ester
CID 552607
methyl (5S,6S)-7-oxo-5,6-bis(trimethylsilyloxy)heptanoate
CID 100980667
Empagliflozin Impurity 62
CID 163202770

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,6R)-4-oxo-2,6-bis(trimethylsilyloxy)heptanedioate?
The IUPAC name of dimethyl (2R,6R)-4-oxo-2,6-bis(trimethylsilyloxy)heptanedioate (CID 102505680) is dimethyl (2R,6R)-4-oxo-2,6-bis(trimethylsilyloxy)heptanedioate.
What is the SMILES notation for dimethyl (2R,6R)-4-oxo-2,6-bis(trimethylsilyloxy)heptanedioate?
The canonical SMILES for dimethyl (2R,6R)-4-oxo-2,6-bis(trimethylsilyloxy)heptanedioate is COC(=O)[C@@H](CC(=O)C[C@@H](O[Si](C)(C)C)C(=O)OC)O[Si](C)(C)C.
What is the InChIKey of dimethyl (2R,6R)-4-oxo-2,6-bis(trimethylsilyloxy)heptanedioate?
The InChIKey is OPIGFKAMBAZSME-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H30O7Si2/c1-19-14(17)12(21-23(3,4)5)9-11(16)10-13(15(18)20-2)22-24(6,7)8/h12-13H,9-10H2,1-8H3/t12-,13-/m1/s1.
What are the key properties of dimethyl (2R,6R)-4-oxo-2,6-bis(trimethylsilyloxy)heptanedioate?
dimethyl (2R,6R)-4-oxo-2,6-bis(trimethylsilyloxy)heptanedioate has a molecular weight of 378.57 g/mol, XLogP of 2.12, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,6R)-4-oxo-2,6-bis(trimethylsilyloxy)heptanedioate is sourced from PubChem (CID 102505680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).