[tert-butyl(dimethyl)silyl] (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohept-3-enoate

C19H38O4Si2 — CID 91752657

IUPAC[tert-butyl(dimethyl)silyl] (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohept-3-enoate
SMILESCC(=O)C/C(=C/CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si2/c1-15(20)14-16(22-24(8,9)18(2,3)4)12-13-17(21)23-25(10,11)19(5,6)7/h12H,13-14H2,1-11H3/b16-12-
InChIKeyAFAGHMMNXDARQM-VBKFSLOCSA-N
MW386.68 g/mol
LogP5.81
Rot. Bonds7

About [tert-butyl(dimethyl)silyl] (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohept-3-enoate

[tert-butyl(dimethyl)silyl] (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohept-3-enoate (PubChem CID 91752657) has the molecular formula C19H38O4Si2 and a molecular weight of 386.68 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohept-3-enoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohept-3-enoate
PubChem CID91752657
Molecular FormulaC19H38O4Si2
Molecular Weight386.68 g/mol
Exact Mass386.23
IUPAC Name[tert-butyl(dimethyl)silyl] (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohept-3-enoate
SMILESCC(=O)C/C(=C/CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si2/c1-15(20)14-16(22-24(8,9)18(2,3)4)12-13-17(21)23-25(10,11)19(5,6)7/h12H,13-14H2,1-11H3/b16-12-
InChIKeyAFAGHMMNXDARQM-VBKFSLOCSA-N
XLogP5.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.68
LogP ≤ 55.81
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'}

Analyze [tert-butyl(dimethyl)silyl] (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohept-3-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 diTBDMS
CID 6430577
3-Ketoadipic acid, TMS # 2
CID 91749592
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
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one
CID 101178875
(E)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one
CID 10990251

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohept-3-enoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohept-3-enoate (CID 91752657) is [tert-butyl(dimethyl)silyl] (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohept-3-enoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohept-3-enoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohept-3-enoate is CC(=O)C/C(=C/CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohept-3-enoate?
The InChIKey is AFAGHMMNXDARQM-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H38O4Si2/c1-15(20)14-16(22-24(8,9)18(2,3)4)12-13-17(21)23-25(10,11)19(5,6)7/h12H,13-14H2,1-11H3/b16-12-.
What are the key properties of [tert-butyl(dimethyl)silyl] (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohept-3-enoate?
[tert-butyl(dimethyl)silyl] (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohept-3-enoate has a molecular weight of 386.68 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (Z)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohept-3-enoate is sourced from PubChem (CID 91752657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).