[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyldec-2-en-7-ynyl] acetate

C19H34O3Si — CID 102384072

IUPAC[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyldec-2-en-7-ynyl] acetate
SMILESCCC#CCC[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/COC(C)=O
InChIInChI=1S/C19H34O3Si/c1-9-10-11-12-13-18(16(2)14-15-21-17(3)20)22-23(7,8)19(4,5)6/h14,18H,9,12-13,15H2,1-8H3/b16-14+/t18-/m0/s1
InChIKeyRESHYZVNSXWNEF-ZWFBASDOSA-N
MW338.56 g/mol
LogP5.08
Rot. Bonds7

About [(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyldec-2-en-7-ynyl] acetate

[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyldec-2-en-7-ynyl] acetate (PubChem CID 102384072) has the molecular formula C19H34O3Si and a molecular weight of 338.56 g/mol. Its IUPAC name is [(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyldec-2-en-7-ynyl] acetate.

Molecular Properties

Compound Name[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyldec-2-en-7-ynyl] acetate
PubChem CID102384072
Molecular FormulaC19H34O3Si
Molecular Weight338.56 g/mol
Exact Mass338.23
IUPAC Name[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyldec-2-en-7-ynyl] acetate
SMILESCCC#CCC[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/COC(C)=O
InChIInChI=1S/C19H34O3Si/c1-9-10-11-12-13-18(16(2)14-15-21-17(3)20)22-23(7,8)19(4,5)6/h14,18H,9,12-13,15H2,1-8H3/b16-14+/t18-/m0/s1
InChIKeyRESHYZVNSXWNEF-ZWFBASDOSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 55.08
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyldec-2-en-7-ynyl] acetate 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,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyldec-2-en-7-ynyl] acetate?
The IUPAC name of [(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyldec-2-en-7-ynyl] acetate (CID 102384072) is [(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyldec-2-en-7-ynyl] acetate.
What is the SMILES notation for [(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyldec-2-en-7-ynyl] acetate?
The canonical SMILES for [(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyldec-2-en-7-ynyl] acetate is CCC#CCC[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/COC(C)=O.
What is the InChIKey of [(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyldec-2-en-7-ynyl] acetate?
The InChIKey is RESHYZVNSXWNEF-ZWFBASDOSA-N. The full InChI is InChI=1S/C19H34O3Si/c1-9-10-11-12-13-18(16(2)14-15-21-17(3)20)22-23(7,8)19(4,5)6/h14,18H,9,12-13,15H2,1-8H3/b16-14+/t18-/m0/s1.
What are the key properties of [(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyldec-2-en-7-ynyl] acetate?
[(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyldec-2-en-7-ynyl] acetate has a molecular weight of 338.56 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyldec-2-en-7-ynyl] acetate is sourced from PubChem (CID 102384072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).