bis(trimethylsilyl) 3-methylheptanedioate

C14H30O4Si2 — CID 530424

IUPACbis(trimethylsilyl) 3-methylheptanedioate
SMILESCC(CCCC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C14H30O4Si2/c1-12(11-14(16)18-20(5,6)7)9-8-10-13(15)17-19(2,3)4/h12H,8-11H2,1-7H3
InChIKeyZZPGMXASVVDLKE-UHFFFAOYSA-N
MW318.56 g/mol
LogP3.94
Rot. Bonds8

About bis(trimethylsilyl) 3-methylheptanedioate

bis(trimethylsilyl) 3-methylheptanedioate (PubChem CID 530424) has the molecular formula C14H30O4Si2 and a molecular weight of 318.56 g/mol. Its IUPAC name is bis(trimethylsilyl) 3-methylheptanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 3-methylheptanedioate
PubChem CID530424
Molecular FormulaC14H30O4Si2
Molecular Weight318.56 g/mol
Exact Mass318.17
IUPAC Namebis(trimethylsilyl) 3-methylheptanedioate
SMILESCC(CCCC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C14H30O4Si2/c1-12(11-14(16)18-20(5,6)7)9-8-10-13(15)17-19(2,3)4/h12H,8-11H2,1-7H3
InChIKeyZZPGMXASVVDLKE-UHFFFAOYSA-N
XLogP3.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 53.94
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
Trimethylsilyl cyclohexanecarboxylate
CID 522350
Hexanedioic acid, 3-methyl-, bis(trimethylsilyl) ester
CID 521639
2-Ethylhexanoic acid, trimethylsilyl ester
CID 553386
Heptanedioic acid, bis(trimethylsilyl) ester
CID 521645
Trimethylsilyl 3,7,11,15-tetramethylhexadecanoate
CID 594295
Hexane-1,3-dicarboxylic acid, bis(trimethylsilyl) ester
CID 523702
Trimethylsilyl 10-methyldodecanoate
CID 526083
Trimethylsilyl 12-methyltetradecanoate
CID 526094
3-Methyladipic acid, diTBDMS
CID 528566
tert-Butyldimethylsilyl 2-cyclohexylacetate
CID 91732587
16-Methyloctadecanoic acid trimethylsilylester
CID 91747648

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 3-methylheptanedioate?
The IUPAC name of bis(trimethylsilyl) 3-methylheptanedioate (CID 530424) is bis(trimethylsilyl) 3-methylheptanedioate.
What is the SMILES notation for bis(trimethylsilyl) 3-methylheptanedioate?
The canonical SMILES for bis(trimethylsilyl) 3-methylheptanedioate is CC(CCCC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 3-methylheptanedioate?
The InChIKey is ZZPGMXASVVDLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si2/c1-12(11-14(16)18-20(5,6)7)9-8-10-13(15)17-19(2,3)4/h12H,8-11H2,1-7H3.
What are the key properties of bis(trimethylsilyl) 3-methylheptanedioate?
bis(trimethylsilyl) 3-methylheptanedioate has a molecular weight of 318.56 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 3-methylheptanedioate is sourced from PubChem (CID 530424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).