[(3S)-3-methoxyoct-7-en-1-ynyl]-trimethylsilane

C12H22OSi — CID 135042463

IUPAC[(3S)-3-methoxyoct-7-en-1-ynyl]-trimethylsilane
SMILESC=CCCC[C@@H](C#C[Si](C)(C)C)OC
InChIInChI=1S/C12H22OSi/c1-6-7-8-9-12(13-2)10-11-14(3,4)5/h6,12H,1,7-9H2,2-5H3/t12-/m0/s1
InChIKeyOWRFZTGRUWEVOC-LBPRGKRZSA-N
MW210.39 g/mol
LogP3.24
Rot. Bonds5

About [(3S)-3-methoxyoct-7-en-1-ynyl]-trimethylsilane

[(3S)-3-methoxyoct-7-en-1-ynyl]-trimethylsilane (PubChem CID 135042463) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is [(3S)-3-methoxyoct-7-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3S)-3-methoxyoct-7-en-1-ynyl]-trimethylsilane
PubChem CID135042463
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name[(3S)-3-methoxyoct-7-en-1-ynyl]-trimethylsilane
SMILESC=CCCC[C@@H](C#C[Si](C)(C)C)OC
InChIInChI=1S/C12H22OSi/c1-6-7-8-9-12(13-2)10-11-14(3,4)5/h6,12H,1,7-9H2,2-5H3/t12-/m0/s1
InChIKeyOWRFZTGRUWEVOC-LBPRGKRZSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-Butyldimethyl (1-methylhex-5-enyloxy)silane
CID 11241664
tert-Butyl-dimethyl-((S)-1-vinyl-hex-4-ynyloxy)-silane
CID 86661510
2-[(2R,3S)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane
CID 12062493
[(3S)-3-methoxyhept-6-en-1-ynyl]-trimethylsilane
CID 53392001
(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol
CID 102063168
tert-butyl-dimethyl-[(3R)-5-methylideneoct-7-en-1-yn-3-yl]oxysilane
CID 134842929
Triethyl(7-methoxyhept-1-en-5-yn-3-yl)silane
CID 134856322
Trimethyl(3-non-1-en-5-yloxyhept-6-en-1-ynyl)silane
CID 135022876
(6R)-6-methoxydodec-1-en-7-yne
CID 135042556
tert-butyl-dimethyl-[(3S)-non-1-en-7-yn-3-yl]oxysilane
CID 10658497
Tert-butyl-dimethyl-oct-1-en-7-yn-3-yloxysilane
CID 11128367

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methoxyoct-7-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(3S)-3-methoxyoct-7-en-1-ynyl]-trimethylsilane (CID 135042463) is [(3S)-3-methoxyoct-7-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(3S)-3-methoxyoct-7-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(3S)-3-methoxyoct-7-en-1-ynyl]-trimethylsilane is C=CCCC[C@@H](C#C[Si](C)(C)C)OC.
What is the InChIKey of [(3S)-3-methoxyoct-7-en-1-ynyl]-trimethylsilane?
The InChIKey is OWRFZTGRUWEVOC-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H22OSi/c1-6-7-8-9-12(13-2)10-11-14(3,4)5/h6,12H,1,7-9H2,2-5H3/t12-/m0/s1.
What are the key properties of [(3S)-3-methoxyoct-7-en-1-ynyl]-trimethylsilane?
[(3S)-3-methoxyoct-7-en-1-ynyl]-trimethylsilane has a molecular weight of 210.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methoxyoct-7-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 135042463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).