[(3S)-3-methoxyhept-6-en-1-ynyl]-trimethylsilane

C11H20OSi — CID 53392001

IUPAC[(3S)-3-methoxyhept-6-en-1-ynyl]-trimethylsilane
SMILESC=CCC[C@@H](C#C[Si](C)(C)C)OC
InChIInChI=1S/C11H20OSi/c1-6-7-8-11(12-2)9-10-13(3,4)5/h6,11H,1,7-8H2,2-5H3/t11-/m0/s1
InChIKeyYQEOAKSESGCFBG-NSHDSACASA-N
MW196.37 g/mol
LogP2.85
Rot. Bonds4

About [(3S)-3-methoxyhept-6-en-1-ynyl]-trimethylsilane

[(3S)-3-methoxyhept-6-en-1-ynyl]-trimethylsilane (PubChem CID 53392001) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is [(3S)-3-methoxyhept-6-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3S)-3-methoxyhept-6-en-1-ynyl]-trimethylsilane
PubChem CID53392001
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name[(3S)-3-methoxyhept-6-en-1-ynyl]-trimethylsilane
SMILESC=CCC[C@@H](C#C[Si](C)(C)C)OC
InChIInChI=1S/C11H20OSi/c1-6-7-8-11(12-2)9-10-13(3,4)5/h6,11H,1,7-8H2,2-5H3/t11-/m0/s1
InChIKeyYQEOAKSESGCFBG-NSHDSACASA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Trimethyl{3-[(oct-7-en-2-yn-1-yl)oxy]prop-1-yn-1-yl}silane
CID 13273598
Tert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane
CID 76533361
Triethyl(hex-1-en-3-yloxy)silane
CID 85834149
tert-Butyl-dimethyl-((S)-1-vinyl-hex-4-ynyloxy)-silane
CID 86661510
1-Trimethylsilylhept-6-en-1-yn-3-ol
CID 11137772
Tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane
CID 11173984
(s)-t-Butyl(hex-5-en-2-yloxy)dimethylsilane
CID 11816732
(3S)-1-trimethylsilylhept-6-en-1-yn-3-ol
CID 44550535
tert-butyl-[(2R)-hex-5-en-2-yl]oxy-dimethylsilane
CID 44604112
Tert-butyl-dimethyl-oct-7-en-2-ynoxysilane
CID 86018787
Triethyl(7-methoxyhept-1-en-5-yn-3-yl)silane
CID 134856322
triethyl-[(3R)-hex-1-en-3-yl]oxysilane
CID 134963427

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methoxyhept-6-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(3S)-3-methoxyhept-6-en-1-ynyl]-trimethylsilane (CID 53392001) is [(3S)-3-methoxyhept-6-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(3S)-3-methoxyhept-6-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(3S)-3-methoxyhept-6-en-1-ynyl]-trimethylsilane is C=CCC[C@@H](C#C[Si](C)(C)C)OC.
What is the InChIKey of [(3S)-3-methoxyhept-6-en-1-ynyl]-trimethylsilane?
The InChIKey is YQEOAKSESGCFBG-NSHDSACASA-N. The full InChI is InChI=1S/C11H20OSi/c1-6-7-8-11(12-2)9-10-13(3,4)5/h6,11H,1,7-8H2,2-5H3/t11-/m0/s1.
What are the key properties of [(3S)-3-methoxyhept-6-en-1-ynyl]-trimethylsilane?
[(3S)-3-methoxyhept-6-en-1-ynyl]-trimethylsilane has a molecular weight of 196.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methoxyhept-6-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 53392001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).