[(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] acetate

C18H34O4Si — CID 11057012

IUPAC[(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] acetate
SMILESCCC(=O)[C@H](C)[C@@H](O[Si](CC)(CC)CC)/C(C)=C/COC(C)=O
InChIInChI=1S/C18H34O4Si/c1-8-17(20)15(6)18(14(5)12-13-21-16(7)19)22-23(9-2,10-3)11-4/h12,15,18H,8-11,13H2,1-7H3/b14-12+/t15-,18-/m0/s1
InChIKeyINZFRBFXQIPFRP-UINHPIIJSA-N
MW342.55 g/mol
LogP4.50
Rot. Bonds11

About [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] acetate

[(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] acetate (PubChem CID 11057012) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] acetate.

Molecular Properties

Compound Name[(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] acetate
PubChem CID11057012
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name[(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] acetate
SMILESCCC(=O)[C@H](C)[C@@H](O[Si](CC)(CC)CC)/C(C)=C/COC(C)=O
InChIInChI=1S/C18H34O4Si/c1-8-17(20)15(6)18(14(5)12-13-21-16(7)19)22-23(9-2,10-3)11-4/h12,15,18H,8-11,13H2,1-7H3/b14-12+/t15-,18-/m0/s1
InChIKeyINZFRBFXQIPFRP-UINHPIIJSA-N
XLogP4.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] acetate 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

[(E,4S,5R,8R)-4,6,8-trimethyl-3-oxoundec-6-en-5-yl] propanoate
CID 163021824
methyl (2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyl-5-oxodeca-2,8-dienoate
CID 11245607
methyl (2E,6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyl-5-oxodeca-2,8-dienoate
CID 11280117
methyl (E,2S,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enoate
CID 10477470
(4R,8R,9R,E)-8-((tert-butyldimethylsilyl)oxy)-6,9-dimethyl-10-oxoundec-6-en-4-yl acetate
CID 11234502
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnon-6-en-3-one
CID 11472059
[(2S,4Z,6R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-8-oxo-2,3,6,7-tetrahydrooxocin-6-yl] acetate
CID 101340982
methyl (1S,2R,5R)-2-acetyloxy-5-trimethylsilylcyclohex-3-ene-1-carboxylate
CID 134889758
[(2R,3S)-3-methylhept-6-en-2-yl] (2E,4R)-4,8-dimethyl-7-oxo-4-triethylsilyloxynona-2,8-dienoate
CID 135021660
ethyl (2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-9-oxodeca-2,4-dienoate
CID 139252199
[(5E,11E)-6,12-dimethyl-2,15-dioxo-9-prop-1-en-2-ylpentadeca-5,11-dien-7-yl] acetate
CID 10959403
methyl (5Z,10E)-8-acetyl-12-[tert-butyl(dimethyl)silyl]oxyheptadeca-5,10-dienoate
CID 12773789

Frequently Asked Questions

What is the IUPAC name of [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] acetate?
The IUPAC name of [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] acetate (CID 11057012) is [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] acetate.
What is the SMILES notation for [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] acetate?
The canonical SMILES for [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] acetate is CCC(=O)[C@H](C)[C@@H](O[Si](CC)(CC)CC)/C(C)=C/COC(C)=O.
What is the InChIKey of [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] acetate?
The InChIKey is INZFRBFXQIPFRP-UINHPIIJSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-8-17(20)15(6)18(14(5)12-13-21-16(7)19)22-23(9-2,10-3)11-4/h12,15,18H,8-11,13H2,1-7H3/b14-12+/t15-,18-/m0/s1.
What are the key properties of [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] acetate?
[(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] acetate has a molecular weight of 342.55 g/mol, XLogP of 4.50, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,4R,5R)-3,5-dimethyl-6-oxo-4-triethylsilyloxyoct-2-enyl] acetate is sourced from PubChem (CID 11057012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).