[(E,2S)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate

C11H18O2Si — CID 11206603

IUPAC[(E,2S)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate
SMILESCC(=O)O[C@@H](C)/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C11H18O2Si/c1-10(13-11(2)12)8-6-7-9-14(3,4)5/h6,8,10H,1-5H3/b8-6+/t10-/m0/s1
InChIKeyVHRLRBWWHMMWQP-PCGIRMHASA-N
MW210.35 g/mol
LogP2.38
Rot. Bonds2

About [(E,2S)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate

[(E,2S)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate (PubChem CID 11206603) has the molecular formula C11H18O2Si and a molecular weight of 210.35 g/mol. Its IUPAC name is [(E,2S)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate.

Molecular Properties

Compound Name[(E,2S)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate
PubChem CID11206603
Molecular FormulaC11H18O2Si
Molecular Weight210.35 g/mol
Exact Mass210.11
IUPAC Name[(E,2S)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate
SMILESCC(=O)O[C@@H](C)/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C11H18O2Si/c1-10(13-11(2)12)8-6-7-9-14(3,4)5/h6,8,10H,1-5H3/b8-6+/t10-/m0/s1
InChIKeyVHRLRBWWHMMWQP-PCGIRMHASA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E,2S)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate?
The IUPAC name of [(E,2S)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate (CID 11206603) is [(E,2S)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate.
What is the SMILES notation for [(E,2S)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate?
The canonical SMILES for [(E,2S)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate is CC(=O)O[C@@H](C)/C=C/C#C[Si](C)(C)C.
What is the InChIKey of [(E,2S)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate?
The InChIKey is VHRLRBWWHMMWQP-PCGIRMHASA-N. The full InChI is InChI=1S/C11H18O2Si/c1-10(13-11(2)12)8-6-7-9-14(3,4)5/h6,8,10H,1-5H3/b8-6+/t10-/m0/s1.
What are the key properties of [(E,2S)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate?
[(E,2S)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate has a molecular weight of 210.35 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2S)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate is sourced from PubChem (CID 11206603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).