[(3R)-1-trimethylsilylhex-5-en-1-yn-3-yl] acetate

C11H18O2Si — CID 11424365

IUPAC[(3R)-1-trimethylsilylhex-5-en-1-yn-3-yl] acetate
SMILESC=CC[C@H](C#C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C11H18O2Si/c1-6-7-11(13-10(2)12)8-9-14(3,4)5/h6,11H,1,7H2,2-5H3/t11-/m1/s1
InChIKeyNQUABLRWZJRKSD-LLVKDONJSA-N
MW210.35 g/mol
LogP2.38
Rot. Bonds3

About [(3R)-1-trimethylsilylhex-5-en-1-yn-3-yl] acetate

[(3R)-1-trimethylsilylhex-5-en-1-yn-3-yl] acetate (PubChem CID 11424365) has the molecular formula C11H18O2Si and a molecular weight of 210.35 g/mol. Its IUPAC name is [(3R)-1-trimethylsilylhex-5-en-1-yn-3-yl] acetate.

Molecular Properties

Compound Name[(3R)-1-trimethylsilylhex-5-en-1-yn-3-yl] acetate
PubChem CID11424365
Molecular FormulaC11H18O2Si
Molecular Weight210.35 g/mol
Exact Mass210.11
IUPAC Name[(3R)-1-trimethylsilylhex-5-en-1-yn-3-yl] acetate
SMILESC=CC[C@H](C#C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C11H18O2Si/c1-6-7-11(13-10(2)12)8-9-14(3,4)5/h6,11H,1,7H2,2-5H3/t11-/m1/s1
InChIKeyNQUABLRWZJRKSD-LLVKDONJSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-6-trimethylsilylhex-4-en-2-yl] acetate
CID 12754625
4-Trimethylsilylhex-5-en-2-yl acetate
CID 12865712
[(E)-4-triethylsilylbut-3-enyl] acetate
CID 18469590
[(3S)-1-trimethylsilylhept-6-en-1-yn-3-yl] acetate
CID 135023701
[(Z)-1-trimethylsilylpent-1-en-3-yl] acetate
CID 135049407
4-Triethylsilylbut-3-enyl acetate
CID 73447112
[(3R)-1-tri(propan-2-yl)silylhex-5-en-1-yn-3-yl] prop-2-enoate
CID 6917464
[(4S,5S)-5-acetyloxy-7-trimethylsilylhept-1-en-6-yn-4-yl] acetate
CID 10660569
Carbon monoxide;cobalt;5-trimethylsilylhept-6-en-2-ynyl acetate
CID 10864131
5-Trimethylsilylhept-6-en-2-ynyl acetate
CID 10864132
methyl (E)-7-trimethylsilylhept-6-en-2-ynoate
CID 10874714
[(E)-1-trimethylsilylpent-1-en-3-yl] acetate
CID 10910548

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-trimethylsilylhex-5-en-1-yn-3-yl] acetate?
The IUPAC name of [(3R)-1-trimethylsilylhex-5-en-1-yn-3-yl] acetate (CID 11424365) is [(3R)-1-trimethylsilylhex-5-en-1-yn-3-yl] acetate.
What is the SMILES notation for [(3R)-1-trimethylsilylhex-5-en-1-yn-3-yl] acetate?
The canonical SMILES for [(3R)-1-trimethylsilylhex-5-en-1-yn-3-yl] acetate is C=CC[C@H](C#C[Si](C)(C)C)OC(C)=O.
What is the InChIKey of [(3R)-1-trimethylsilylhex-5-en-1-yn-3-yl] acetate?
The InChIKey is NQUABLRWZJRKSD-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18O2Si/c1-6-7-11(13-10(2)12)8-9-14(3,4)5/h6,11H,1,7H2,2-5H3/t11-/m1/s1.
What are the key properties of [(3R)-1-trimethylsilylhex-5-en-1-yn-3-yl] acetate?
[(3R)-1-trimethylsilylhex-5-en-1-yn-3-yl] acetate has a molecular weight of 210.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-trimethylsilylhex-5-en-1-yn-3-yl] acetate is sourced from PubChem (CID 11424365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).