dimethyl (2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyheptanedioate

C15H30O7Si — CID 135046881

IUPACdimethyl (2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyheptanedioate
SMILESCOC(=O)[C@H](O)CC(C[C@@H](O)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O7Si/c1-15(2,3)23(6,7)22-10(8-11(16)13(18)20-4)9-12(17)14(19)21-5/h10-12,16-17H,8-9H2,1-7H3/t11-,12-/m1/s1
InChIKeyKTJZNHBMQXBILE-VXGBXAGGSA-N
MW350.48 g/mol
LogP1.22
Rot. Bonds8

About dimethyl (2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyheptanedioate

dimethyl (2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyheptanedioate (PubChem CID 135046881) has the molecular formula C15H30O7Si and a molecular weight of 350.48 g/mol. Its IUPAC name is dimethyl (2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyheptanedioate.

Molecular Properties

Compound Namedimethyl (2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyheptanedioate
PubChem CID135046881
Molecular FormulaC15H30O7Si
Molecular Weight350.48 g/mol
Exact Mass350.18
IUPAC Namedimethyl (2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyheptanedioate
SMILESCOC(=O)[C@H](O)CC(C[C@@H](O)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O7Si/c1-15(2,3)23(6,7)22-10(8-11(16)13(18)20-4)9-12(17)14(19)21-5/h10-12,16-17H,8-9H2,1-7H3/t11-,12-/m1/s1
InChIKeyKTJZNHBMQXBILE-VXGBXAGGSA-N
XLogP1.22
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one
CID 10779889
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate
CID 23642893
ethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate
CID 24873843
(2r,3s,6s)-Ethyl 6-(t-butyldimethylsilyloxy)-2,3-dihydroxyheptanoate
CID 129843402
ethyl (2R)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate
CID 135013071
2-Hydroxycaprylic acid, TBDMS
CID 91752569
Butyl 2-hydroxy-4-trimethylsilyloxyheptanoate
CID 19922583
methyl (3R,4S,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate
CID 59036350
methyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate
CID 59949901
(2S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxyhexadecanoic acid
CID 88608186
2,5-Dihydroxy-4-methoxyheptanoic acid
CID 123246197
(2S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-6-methyloxane-2-carboxylic acid
CID 140355526

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyheptanedioate?
The IUPAC name of dimethyl (2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyheptanedioate (CID 135046881) is dimethyl (2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyheptanedioate.
What is the SMILES notation for dimethyl (2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyheptanedioate?
The canonical SMILES for dimethyl (2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyheptanedioate is COC(=O)[C@H](O)CC(C[C@@H](O)C(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of dimethyl (2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyheptanedioate?
The InChIKey is KTJZNHBMQXBILE-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H30O7Si/c1-15(2,3)23(6,7)22-10(8-11(16)13(18)20-4)9-12(17)14(19)21-5/h10-12,16-17H,8-9H2,1-7H3/t11-,12-/m1/s1.
What are the key properties of dimethyl (2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyheptanedioate?
dimethyl (2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyheptanedioate has a molecular weight of 350.48 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyheptanedioate is sourced from PubChem (CID 135046881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).