(2R)-2-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanedioic acid

C18H38O5Si2 — CID 141379495

IUPAC(2R)-2-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanedioic acid
SMILESCC(C)(C)[Si](C)(C)OC(CC(=O)O)[C@](C)(C(=O)O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O5Si2/c1-16(2,3)24(8,9)18(7,15(21)22)13(12-14(19)20)23-25(10,11)17(4,5)6/h13H,12H2,1-11H3,(H,19,20)(H,21,22)/t13?,18-/m1/s1
InChIKeyLQJCBTLMCAFSAW-PQJIZZRHSA-N
MW390.67 g/mol
LogP5.20
Rot. Bonds7

About (2R)-2-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanedioic acid

(2R)-2-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanedioic acid (PubChem CID 141379495) has the molecular formula C18H38O5Si2 and a molecular weight of 390.67 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanedioic acid.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanedioic acid
PubChem CID141379495
Molecular FormulaC18H38O5Si2
Molecular Weight390.67 g/mol
Exact Mass390.23
IUPAC Name(2R)-2-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanedioic acid
SMILESCC(C)(C)[Si](C)(C)OC(CC(=O)O)[C@](C)(C(=O)O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O5Si2/c1-16(2,3)24(8,9)18(7,15(21)22)13(12-14(19)20)23-25(10,11)17(4,5)6/h13H,12H2,1-11H3,(H,19,20)(H,21,22)/t13?,18-/m1/s1
InChIKeyLQJCBTLMCAFSAW-PQJIZZRHSA-N
XLogP5.20
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.67
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
3-[[(1,1-Dimethyl)dimethylsily]oxy]pentanedioic acid monomethyl ester
CID 10934717
Mevalonic acid, triTBDMS
CID 553829
methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate
CID 10938013
ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11278132
ethyl (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 134856614
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid
CID 134966850
tert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate
CID 135012525
3-Hydroxyglutaric acid, triTBDMS
CID 6430555
3-Hydroxy-3-methylglutaric acid, bis(tert-butyldimethylsilyl) ester
CID 91697368
3-[Tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid
CID 4643315
(S)-3-[[(1,1-Dimethyl)dimethylsily]oxy]pentanedioic acid monomethyl ester
CID 10039139

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanedioic acid?
The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanedioic acid (CID 141379495) is (2R)-2-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanedioic acid.
What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanedioic acid?
The canonical SMILES for (2R)-2-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanedioic acid is CC(C)(C)[Si](C)(C)OC(CC(=O)O)[C@](C)(C(=O)O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanedioic acid?
The InChIKey is LQJCBTLMCAFSAW-PQJIZZRHSA-N. The full InChI is InChI=1S/C18H38O5Si2/c1-16(2,3)24(8,9)18(7,15(21)22)13(12-14(19)20)23-25(10,11)17(4,5)6/h13H,12H2,1-11H3,(H,19,20)(H,21,22)/t13?,18-/m1/s1.
What are the key properties of (2R)-2-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanedioic acid?
(2R)-2-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanedioic acid has a molecular weight of 390.67 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(dimethyl)silyl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanedioic acid is sourced from PubChem (CID 141379495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).