[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate

C18H34O3Si — CID 11088708

IUPAC[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate
SMILESCC/C=C/CC(=O)OC(/C=C/CO[Si](C)(C)C(C)(C)C)CC
InChIInChI=1S/C18H34O3Si/c1-8-10-11-14-17(19)21-16(9-2)13-12-15-20-22(6,7)18(3,4)5/h10-13,16H,8-9,14-15H2,1-7H3/b11-10+,13-12+
InChIKeyGFUKZPPUAGOVPK-AQASXUMVSA-N
MW326.55 g/mol
LogP5.24
Rot. Bonds9

About [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate

[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate (PubChem CID 11088708) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate.

Molecular Properties

Compound Name[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate
PubChem CID11088708
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate
SMILESCC/C=C/CC(=O)OC(/C=C/CO[Si](C)(C)C(C)(C)C)CC
InChIInChI=1S/C18H34O3Si/c1-8-10-11-14-17(19)21-16(9-2)13-12-15-20-22(6,7)18(3,4)5/h10-13,16H,8-9,14-15H2,1-7H3/b11-10+,13-12+
InChIKeyGFUKZPPUAGOVPK-AQASXUMVSA-N
XLogP5.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-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

Frequently Asked Questions

What is the IUPAC name of [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate?
The IUPAC name of [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate (CID 11088708) is [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate.
What is the SMILES notation for [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate?
The canonical SMILES for [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate is CC/C=C/CC(=O)OC(/C=C/CO[Si](C)(C)C(C)(C)C)CC.
What is the InChIKey of [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate?
The InChIKey is GFUKZPPUAGOVPK-AQASXUMVSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-8-10-11-14-17(19)21-16(9-2)13-12-15-20-22(6,7)18(3,4)5/h10-13,16H,8-9,14-15H2,1-7H3/b11-10+,13-12+.
What are the key properties of [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate?
[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate has a molecular weight of 326.55 g/mol, XLogP of 5.24, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate is sourced from PubChem (CID 11088708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).