ditert-butyl 2-[1,2-bis(trimethylsilyloxy)propyl]propanedioate

C20H42O6Si2 — CID 139796691

IUPACditert-butyl 2-[1,2-bis(trimethylsilyloxy)propyl]propanedioate
SMILESCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H42O6Si2/c1-14(25-27(8,9)10)16(26-28(11,12)13)15(17(21)23-19(2,3)4)18(22)24-20(5,6)7/h14-16H,1-13H3
InChIKeyFRDJZEBDQUFPBY-UHFFFAOYSA-N
MW434.72 g/mol
LogP4.75
Rot. Bonds8

About ditert-butyl 2-[1,2-bis(trimethylsilyloxy)propyl]propanedioate

ditert-butyl 2-[1,2-bis(trimethylsilyloxy)propyl]propanedioate (PubChem CID 139796691) has the molecular formula C20H42O6Si2 and a molecular weight of 434.72 g/mol. Its IUPAC name is ditert-butyl 2-[1,2-bis(trimethylsilyloxy)propyl]propanedioate.

Molecular Properties

Compound Nameditert-butyl 2-[1,2-bis(trimethylsilyloxy)propyl]propanedioate
PubChem CID139796691
Molecular FormulaC20H42O6Si2
Molecular Weight434.72 g/mol
Exact Mass434.25
IUPAC Nameditert-butyl 2-[1,2-bis(trimethylsilyloxy)propyl]propanedioate
SMILESCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H42O6Si2/c1-14(25-27(8,9)10)16(26-28(11,12)13)15(17(21)23-19(2,3)4)18(22)24-20(5,6)7/h14-16H,1-13H3
InChIKeyFRDJZEBDQUFPBY-UHFFFAOYSA-N
XLogP4.75
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.72
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Ribonic acid, 2-C-methyl-2,3,4,5-tetrakis-O-(trimethylsilyl)-, trimethylsilyl ester
CID 552768
Erythro-Pentonic acid, 3-deoxy-2,4,5-tris-O-(trimethylsilyl)-2-C-[[(trimethylsilyl)oxy]methyl]-, trimethylsilyl ester
CID 553971
2-C-(Hydroxymethyl)pentonic acid, hexakis-TMS
CID 523321
2-C-Methylarabinonic acid, pentakis-TMS
CID 523323
3-Deoxy-2-C-hydroxymethyl-threo-pentonic acid, pentakis-TMS
CID 523357
C-(2,3-Dihydroxypropyl)glyceraric acid, TMS
CID 523388
C-(erythro-1,2,3-trihydroxypropyl)glyceraric acid, TMS
CID 91746744
C-(threo-1,2,3-trihydroxypropyl)glyceraric acid, TMS
CID 91746746
Bis(3-methylbutyl) 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1,1-dicarboxylate
CID 53735488
Ditert-butyl 2-[1,2-bis(trimethylsilyloxy)propyl]-2-iodopropanedioate
CID 85219641
(3S)-4-methyl-3,4-bis(triethylsilyloxy)pentanoic acid
CID 87444332
(3R)-4-methyl-3,4-bis(triethylsilyloxy)pentanoic acid
CID 87444346

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 2-[1,2-bis(trimethylsilyloxy)propyl]propanedioate?
The IUPAC name of ditert-butyl 2-[1,2-bis(trimethylsilyloxy)propyl]propanedioate (CID 139796691) is ditert-butyl 2-[1,2-bis(trimethylsilyloxy)propyl]propanedioate.
What is the SMILES notation for ditert-butyl 2-[1,2-bis(trimethylsilyloxy)propyl]propanedioate?
The canonical SMILES for ditert-butyl 2-[1,2-bis(trimethylsilyloxy)propyl]propanedioate is CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl 2-[1,2-bis(trimethylsilyloxy)propyl]propanedioate?
The InChIKey is FRDJZEBDQUFPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O6Si2/c1-14(25-27(8,9)10)16(26-28(11,12)13)15(17(21)23-19(2,3)4)18(22)24-20(5,6)7/h14-16H,1-13H3.
What are the key properties of ditert-butyl 2-[1,2-bis(trimethylsilyloxy)propyl]propanedioate?
ditert-butyl 2-[1,2-bis(trimethylsilyloxy)propyl]propanedioate has a molecular weight of 434.72 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 2-[1,2-bis(trimethylsilyloxy)propyl]propanedioate is sourced from PubChem (CID 139796691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).