bis[tert-butyl(dimethyl)silyl] 3-methylpentanedioate

C18H38O4Si2 — CID 552443

IUPACbis[tert-butyl(dimethyl)silyl] 3-methylpentanedioate
SMILESCC(CC(=O)O[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-14(12-15(19)21-23(8,9)17(2,3)4)13-16(20)22-24(10,11)18(5,6)7/h14H,12-13H2,1-11H3
InChIKeyIUTZKFAHABEWKJ-UHFFFAOYSA-N
MW374.67 g/mol
LogP5.50
Rot. Bonds6

About bis[tert-butyl(dimethyl)silyl] 3-methylpentanedioate

bis[tert-butyl(dimethyl)silyl] 3-methylpentanedioate (PubChem CID 552443) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 3-methylpentanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 3-methylpentanedioate
PubChem CID552443
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Namebis[tert-butyl(dimethyl)silyl] 3-methylpentanedioate
SMILESCC(CC(=O)O[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-14(12-15(19)21-23(8,9)17(2,3)4)13-16(20)22-24(10,11)18(5,6)7/h14H,12-13H2,1-11H3
InChIKeyIUTZKFAHABEWKJ-UHFFFAOYSA-N
XLogP5.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.67
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pentanedioic acid, 3-methyl-, bis(trimethylsilyl) ester
CID 521632
Tris(trimethylsilyl) 1,2,3-propanetricarboxylate
CID 530425
Bis[tert-butyl(dimethyl)silyl] pentanedioate
CID 552518
Pentanedioic acid, 2-methyl-, bis(trimethylsilyl) ester
CID 521643
Bis(trimethylsilyl) 3,3-dimethylpentanedioate
CID 521694
3-Methyladipic acid, diTBDMS
CID 528566
3-Hydroxy-3-methylglutarate, TBDMS
CID 552407
METHYLCITRIC ACID (I) diTMS
CID 91749483
3-acetyl pentanedioic acid, TMS ester
CID 91749506
3-isopropyl pentanedioic acid, TMS ester
CID 91749507
2,2-Dimethylglutaric acid, TBDMS
CID 91752558
Methylcitric acid, TBDMS # 1
CID 91752642

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] 3-methylpentanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 3-methylpentanedioate (CID 552443) is bis[tert-butyl(dimethyl)silyl] 3-methylpentanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 3-methylpentanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 3-methylpentanedioate is CC(CC(=O)O[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] 3-methylpentanedioate?
The InChIKey is IUTZKFAHABEWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-14(12-15(19)21-23(8,9)17(2,3)4)13-16(20)22-24(10,11)18(5,6)7/h14H,12-13H2,1-11H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 3-methylpentanedioate?
bis[tert-butyl(dimethyl)silyl] 3-methylpentanedioate has a molecular weight of 374.67 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] 3-methylpentanedioate is sourced from PubChem (CID 552443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).