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

C19H40O4Si2 — CID 528566

IUPACbis[tert-butyl(dimethyl)silyl] 3-methylhexanedioate
SMILESCC(CCC(=O)O[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O4Si2/c1-15(14-17(21)23-25(10,11)19(5,6)7)12-13-16(20)22-24(8,9)18(2,3)4/h15H,12-14H2,1-11H3
InChIKeyOODFVLTWVRCTLQ-UHFFFAOYSA-N
MW388.70 g/mol
LogP5.89
Rot. Bonds7

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

bis[tert-butyl(dimethyl)silyl] 3-methylhexanedioate (PubChem CID 528566) has the molecular formula C19H40O4Si2 and a molecular weight of 388.70 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 3-methylhexanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 3-methylhexanedioate
PubChem CID528566
Molecular FormulaC19H40O4Si2
Molecular Weight388.70 g/mol
Exact Mass388.25
IUPAC Namebis[tert-butyl(dimethyl)silyl] 3-methylhexanedioate
SMILESCC(CCC(=O)O[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O4Si2/c1-15(14-17(21)23-25(10,11)19(5,6)7)12-13-16(20)22-24(8,9)18(2,3)4/h15H,12-14H2,1-11H3
InChIKeyOODFVLTWVRCTLQ-UHFFFAOYSA-N
XLogP5.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.70
LogP ≤ 55.89
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

Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester
CID 116673
Hexanedioic acid, 3-methyl-, bis(trimethylsilyl) ester
CID 521639
2-Ethylhexanoic acid, trimethylsilyl ester
CID 553386
Hexanedioic acid, bis(tert-butyldimethylsilyl) ester
CID 528567
Bis(trimethylsilyl) 3-methylheptanedioate
CID 530424
Pentanedioic acid, 3-methyl-, bis(tert-butyldimethylsilyl) ester
CID 552443
Bis[tert-butyl(dimethyl)silyl] pimelate
CID 552524
methyl (3R)-3-tri(propan-2-yl)silylcyclopentane-1-carboxylate
CID 135039600
Dimethylsilylene bis(2-ethylhexanoate)
CID 6453215
Tri(propan-2-yl)silyl 2,3-dimethylheptanoate
CID 13040643
[Hexanoyloxy(dipropyl)silyl] hexanoate
CID 170847861
[Diethyl(hexanoyloxy)silyl] hexanoate
CID 170847862

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] 3-methylhexanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 3-methylhexanedioate (CID 528566) is bis[tert-butyl(dimethyl)silyl] 3-methylhexanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 3-methylhexanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 3-methylhexanedioate is CC(CCC(=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-methylhexanedioate?
The InChIKey is OODFVLTWVRCTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O4Si2/c1-15(14-17(21)23-25(10,11)19(5,6)7)12-13-16(20)22-24(8,9)18(2,3)4/h15H,12-14H2,1-11H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 3-methylhexanedioate?
bis[tert-butyl(dimethyl)silyl] 3-methylhexanedioate has a molecular weight of 388.70 g/mol, XLogP of 5.89, 7 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-methylhexanedioate is sourced from PubChem (CID 528566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).