trimethylsilyl (Z)-6-oxo-4-trimethylsilyloxyoct-4-enoate

C14H28O4Si2 — CID 5366647

IUPACtrimethylsilyl (Z)-6-oxo-4-trimethylsilyloxyoct-4-enoate
SMILESCCC(=O)/C=C(/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H28O4Si2/c1-8-12(15)11-13(17-19(2,3)4)9-10-14(16)18-20(5,6)7/h11H,8-10H2,1-7H3/b13-11-
InChIKeyPDGMMANBJGKVRL-QBFSEMIESA-N
MW316.55 g/mol
LogP3.86
Rot. Bonds8

About trimethylsilyl (Z)-6-oxo-4-trimethylsilyloxyoct-4-enoate

trimethylsilyl (Z)-6-oxo-4-trimethylsilyloxyoct-4-enoate (PubChem CID 5366647) has the molecular formula C14H28O4Si2 and a molecular weight of 316.55 g/mol. Its IUPAC name is trimethylsilyl (Z)-6-oxo-4-trimethylsilyloxyoct-4-enoate.

Molecular Properties

Compound Nametrimethylsilyl (Z)-6-oxo-4-trimethylsilyloxyoct-4-enoate
PubChem CID5366647
Molecular FormulaC14H28O4Si2
Molecular Weight316.55 g/mol
Exact Mass316.15
IUPAC Nametrimethylsilyl (Z)-6-oxo-4-trimethylsilyloxyoct-4-enoate
SMILESCCC(=O)/C=C(/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H28O4Si2/c1-8-12(15)11-13(17-19(2,3)4)9-10-14(16)18-20(5,6)7/h11H,8-10H2,1-7H3/b13-11-
InChIKeyPDGMMANBJGKVRL-QBFSEMIESA-N
XLogP3.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.55
LogP ≤ 53.86
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 (Z)-6-oxo-4-trimethylsilyloxyoct-4-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

Bis(trimethylsilyl)-3-[(trimethylsilyl)oxy]hex-2-enedioate
CID 6421159
3-Hydroxyhex-2-enedioic acid, tert-butyldimethylsilyl ether, bis(tert-butyldimethylsilyl) ester
CID 91745424
Succinylacetone diTBDMS
CID 6430577
Succinylacetone, TMS
CID 91749620
Dimethyl 3-trimethylsilyloxyhex-2-enedioate
CID 5366559
3-Heptenedioic acid, 4-trimethylsilyloxy-, bis(trimethylsilyl) ester
CID 5366768
Succinylacetone ditms pk1
CID 5373528
trimethylsilyl (E)-4-oxo-6-trimethylsilyloxyhept-5-enoate
CID 169488377
CID 552888
CID 552888

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (Z)-6-oxo-4-trimethylsilyloxyoct-4-enoate?
The IUPAC name of trimethylsilyl (Z)-6-oxo-4-trimethylsilyloxyoct-4-enoate (CID 5366647) is trimethylsilyl (Z)-6-oxo-4-trimethylsilyloxyoct-4-enoate.
What is the SMILES notation for trimethylsilyl (Z)-6-oxo-4-trimethylsilyloxyoct-4-enoate?
The canonical SMILES for trimethylsilyl (Z)-6-oxo-4-trimethylsilyloxyoct-4-enoate is CCC(=O)/C=C(/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (Z)-6-oxo-4-trimethylsilyloxyoct-4-enoate?
The InChIKey is PDGMMANBJGKVRL-QBFSEMIESA-N. The full InChI is InChI=1S/C14H28O4Si2/c1-8-12(15)11-13(17-19(2,3)4)9-10-14(16)18-20(5,6)7/h11H,8-10H2,1-7H3/b13-11-.
What are the key properties of trimethylsilyl (Z)-6-oxo-4-trimethylsilyloxyoct-4-enoate?
trimethylsilyl (Z)-6-oxo-4-trimethylsilyloxyoct-4-enoate has a molecular weight of 316.55 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (Z)-6-oxo-4-trimethylsilyloxyoct-4-enoate is sourced from PubChem (CID 5366647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).