trimethylsilyl (E)-4-oxo-6-trimethylsilyloxyhept-5-enoate

C13H26O4Si2 — CID 169488377

IUPACtrimethylsilyl (E)-4-oxo-6-trimethylsilyloxyhept-5-enoate
SMILESC/C(=C\C(=O)CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H26O4Si2/c1-11(16-18(2,3)4)10-12(14)8-9-13(15)17-19(5,6)7/h10H,8-9H2,1-7H3/b11-10+
InChIKeyKPTPAMDRWNHDMC-ZHACJKMWSA-N
MW302.52 g/mol
LogP3.47
Rot. Bonds7

About trimethylsilyl (E)-4-oxo-6-trimethylsilyloxyhept-5-enoate

trimethylsilyl (E)-4-oxo-6-trimethylsilyloxyhept-5-enoate (PubChem CID 169488377) has the molecular formula C13H26O4Si2 and a molecular weight of 302.52 g/mol. Its IUPAC name is trimethylsilyl (E)-4-oxo-6-trimethylsilyloxyhept-5-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-4-oxo-6-trimethylsilyloxyhept-5-enoate
PubChem CID169488377
Molecular FormulaC13H26O4Si2
Molecular Weight302.52 g/mol
Exact Mass302.14
IUPAC Nametrimethylsilyl (E)-4-oxo-6-trimethylsilyloxyhept-5-enoate
SMILESC/C(=C\C(=O)CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H26O4Si2/c1-11(16-18(2,3)4)10-12(14)8-9-13(15)17-19(5,6)7/h10H,8-9H2,1-7H3/b11-10+
InChIKeyKPTPAMDRWNHDMC-ZHACJKMWSA-N
XLogP3.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.52
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze trimethylsilyl (E)-4-oxo-6-trimethylsilyloxyhept-5-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Succinylacetone, TMS
CID 91749620
4,6-Diketooctanoic acid,O,O'-bis(trimethylsilyl)
CID 5366647
Succinylacetone ditms pk1
CID 5373528
Succinylacetone ditbdms pk1
CID 91725222

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (E)-4-oxo-6-trimethylsilyloxyhept-5-enoate?
The IUPAC name of trimethylsilyl (E)-4-oxo-6-trimethylsilyloxyhept-5-enoate (CID 169488377) is trimethylsilyl (E)-4-oxo-6-trimethylsilyloxyhept-5-enoate.
What is the SMILES notation for trimethylsilyl (E)-4-oxo-6-trimethylsilyloxyhept-5-enoate?
The canonical SMILES for trimethylsilyl (E)-4-oxo-6-trimethylsilyloxyhept-5-enoate is C/C(=C\C(=O)CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (E)-4-oxo-6-trimethylsilyloxyhept-5-enoate?
The InChIKey is KPTPAMDRWNHDMC-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H26O4Si2/c1-11(16-18(2,3)4)10-12(14)8-9-13(15)17-19(5,6)7/h10H,8-9H2,1-7H3/b11-10+.
What are the key properties of trimethylsilyl (E)-4-oxo-6-trimethylsilyloxyhept-5-enoate?
trimethylsilyl (E)-4-oxo-6-trimethylsilyloxyhept-5-enoate has a molecular weight of 302.52 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-4-oxo-6-trimethylsilyloxyhept-5-enoate is sourced from PubChem (CID 169488377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).