bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-3-enedioate

C15H32O5Si3 — CID 91749592

IUPACbis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-3-enedioate
SMILESC[Si](C)(C)OC(=O)C/C=C(/CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H32O5Si3/c1-21(2,3)18-13(12-15(17)20-23(7,8)9)10-11-14(16)19-22(4,5)6/h10H,11-12H2,1-9H3/b13-10-
InChIKeyIMVBPBMPWMKINR-RAXLEYEMSA-N
MW376.67 g/mol
LogP4.26
Rot. Bonds8

About bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-3-enedioate

bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-3-enedioate (PubChem CID 91749592) has the molecular formula C15H32O5Si3 and a molecular weight of 376.67 g/mol. Its IUPAC name is bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-3-enedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-3-enedioate
PubChem CID91749592
Molecular FormulaC15H32O5Si3
Molecular Weight376.67 g/mol
Exact Mass376.16
IUPAC Namebis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-3-enedioate
SMILESC[Si](C)(C)OC(=O)C/C=C(/CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H32O5Si3/c1-21(2,3)18-13(12-15(17)20-23(7,8)9)10-11-14(16)19-22(4,5)6/h10H,11-12H2,1-9H3/b13-10-
InChIKeyIMVBPBMPWMKINR-RAXLEYEMSA-N
XLogP4.26
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.67
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-3-enedioate 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

Pentenoic acid, 4-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 5366584
Pentanedioic acid, 3-oxo-, tris(trimethylsilyl) ester
CID 5366621
methyl (3E)-3-trimethylsilyloxyhepta-3,6-dienoate
CID 135079957
methyl (E)-3-trimethylsilyloxyhept-3-enoate
CID 135079958
Succinylacetone, TBDMS # 3
CID 91752657
tert-butyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-3-enoate
CID 10926445
Bis[tert-butyl(dimethyl)silyl]-3-([tert-butyl(dimethyl)silyl]oxy)pent-2-enedioate
CID 91697060
bis(trimethylsilyl) (E)-3-trimethylsilyloxypent-2-enedioate
CID 177582332
Ethyl 3-trimethylsilyloxypent-3-enoate
CID 176018456
3-Trimethylsilyloxypent-3-enoic acid
CID 176018492
trimethylsilyl (Z)-2-methyl-3-trimethylsilyloxypent-3-enoate
CID 101667085
bis(trimethylsilyl) (3E,5E)-3,5-bis(trimethylsilyloxy)octa-3,5-dienedioate
CID 177458360

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-3-enedioate?
The IUPAC name of bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-3-enedioate (CID 91749592) is bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-3-enedioate.
What is the SMILES notation for bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-3-enedioate?
The canonical SMILES for bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-3-enedioate is C[Si](C)(C)OC(=O)C/C=C(/CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-3-enedioate?
The InChIKey is IMVBPBMPWMKINR-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H32O5Si3/c1-21(2,3)18-13(12-15(17)20-23(7,8)9)10-11-14(16)19-22(4,5)6/h10H,11-12H2,1-9H3/b13-10-.
What are the key properties of bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-3-enedioate?
bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-3-enedioate has a molecular weight of 376.67 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (Z)-3-trimethylsilyloxyhex-3-enedioate is sourced from PubChem (CID 91749592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).