bis(trimethylsilyl) 2-propylpentanedioate

C14H30O4Si2 — CID 523702

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

About bis(trimethylsilyl) 2-propylpentanedioate

bis(trimethylsilyl) 2-propylpentanedioate (PubChem CID 523702) has the molecular formula C14H30O4Si2 and a molecular weight of 318.56 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-propylpentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-propylpentanedioate
PubChem CID523702
Molecular FormulaC14H30O4Si2
Molecular Weight318.56 g/mol
Exact Mass318.17
IUPAC Namebis(trimethylsilyl) 2-propylpentanedioate
SMILESCCCC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C14H30O4Si2/c1-8-9-12(14(16)18-20(5,6)7)10-11-13(15)17-19(2,3)4/h12H,8-11H2,1-7H3
InChIKeyMTIYPCGPTBSGLS-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

Trimethylsilyl cyclohexanecarboxylate
CID 522350
Pentanedioic acid, 3-methyl-, bis(trimethylsilyl) ester
CID 521632
Hexanedioic acid, 3-methyl-, bis(trimethylsilyl) ester
CID 521639
2-Ethylhexanoic acid, trimethylsilyl ester
CID 553386
Pentanedioic acid, 2-methyl-, bis(trimethylsilyl) ester
CID 521643
2-Propyl-5-hydroxypentanoic acid, diTMS
CID 523705
Bis(trimethylsilyl) 3-methylheptanedioate
CID 530424
Trimethylsilyl 6-methylheptanoate
CID 169084629
Trimethylsilyl 2-ethyloctanoate
CID 85943470
Hexanoic acid, 2-(3-hydroxypropyl), bis-TMS
CID 526138
3-isopropyl pentanedioic acid, TMS ester
CID 91749507
Octanedioic acid, 3-methyl, bis-trimethylsilyl ester
CID 91751176

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-propylpentanedioate?
The IUPAC name of bis(trimethylsilyl) 2-propylpentanedioate (CID 523702) is bis(trimethylsilyl) 2-propylpentanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-propylpentanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-propylpentanedioate is CCCC(CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-propylpentanedioate?
The InChIKey is MTIYPCGPTBSGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si2/c1-8-9-12(14(16)18-20(5,6)7)10-11-13(15)17-19(2,3)4/h12H,8-11H2,1-7H3.
What are the key properties of bis(trimethylsilyl) 2-propylpentanedioate?
bis(trimethylsilyl) 2-propylpentanedioate 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) 2-propylpentanedioate is sourced from PubChem (CID 523702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).