1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate

C18H38O5Si2 — CID 13327281

IUPAC1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCOC(=O)C[C@H](CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O5Si2/c1-17(2,3)24(8,9)22-14(12-15(19)21-7)13-16(20)23-25(10,11)18(4,5)6/h14H,12-13H2,1-11H3/t14-/m1/s1
InChIKeySDOVSJFWHMOHLD-CQSZACIVSA-N
MW390.67 g/mol
LogP4.88
Rot. Bonds7

About 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate

1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate (PubChem CID 13327281) has the molecular formula C18H38O5Si2 and a molecular weight of 390.67 g/mol. Its IUPAC name is 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate.

Molecular Properties

Compound Name1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
PubChem CID13327281
Molecular FormulaC18H38O5Si2
Molecular Weight390.67 g/mol
Exact Mass390.23
IUPAC Name1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCOC(=O)C[C@H](CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O5Si2/c1-17(2,3)24(8,9)22-14(12-15(19)21-7)13-16(20)23-25(10,11)18(4,5)6/h14H,12-13H2,1-11H3/t14-/m1/s1
InChIKeySDOVSJFWHMOHLD-CQSZACIVSA-N
XLogP4.88
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.67
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl (S)-3-(tert-butyldimethylsiloxy)glutarate
CID 16212721
(R)-tert-Butyl ethyl 3-(tert-butyldimethylsiloxy)glutarate
CID 25034097
3-[[(1,1-Dimethyl)dimethylsily]oxy]pentanedioic acid monomethyl ester
CID 10934717
(4R,5R)-4-((tert-Butyldimethylsilyl)oxy)-5-(((tert-butyldimethylsilyl)oxy)methyl)dihydrofuran-2(3H)-one
CID 134973989
Mevalonic acid, triTBDMS
CID 553829
Dimethyl 3-([tert-butyl(dimethyl)silyl]oxy)pentanedioate
CID 560716
Diethyl 3-(tert-Butyldimethylsilyloxy)glutarate
CID 13327289
1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate
CID 10787430
methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate
CID 10938013
Methyl (3R)-3-(((1,1-dimethylethyl)dimethylsilyl)oxy)-5-oxopentanoate
CID 11065195
Dimethyl 3-triethylsilyloxypentanedioate
CID 11716231
1-O-ethyl 5-O-methoxycarbonyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
CID 134952959

Frequently Asked Questions

What is the IUPAC name of 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The IUPAC name of 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate (CID 13327281) is 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate.
What is the SMILES notation for 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The canonical SMILES for 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate is COC(=O)C[C@H](CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The InChIKey is SDOVSJFWHMOHLD-CQSZACIVSA-N. The full InChI is InChI=1S/C18H38O5Si2/c1-17(2,3)24(8,9)22-14(12-15(19)21-7)13-16(20)23-25(10,11)18(4,5)6/h14H,12-13H2,1-11H3/t14-/m1/s1.
What are the key properties of 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate has a molecular weight of 390.67 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate is sourced from PubChem (CID 13327281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).