(E)-3-methyl-8-trimethylsilyloct-3-en-7-yn-1-ol

C12H22OSi — CID 134992005

IUPAC(E)-3-methyl-8-trimethylsilyloct-3-en-7-yn-1-ol
SMILESC/C(=C\CCC#C[Si](C)(C)C)CCO
InChIInChI=1S/C12H22OSi/c1-12(9-10-13)8-6-5-7-11-14(2,3)4/h8,13H,5-6,9-10H2,1-4H3/b12-8+
InChIKeyJZQIUIVCQLAERW-XYOKQWHBSA-N
MW210.39 g/mol
LogP2.98
Rot. Bonds4

About (E)-3-methyl-8-trimethylsilyloct-3-en-7-yn-1-ol

(E)-3-methyl-8-trimethylsilyloct-3-en-7-yn-1-ol (PubChem CID 134992005) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is (E)-3-methyl-8-trimethylsilyloct-3-en-7-yn-1-ol.

Molecular Properties

Compound Name(E)-3-methyl-8-trimethylsilyloct-3-en-7-yn-1-ol
PubChem CID134992005
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name(E)-3-methyl-8-trimethylsilyloct-3-en-7-yn-1-ol
SMILESC/C(=C\CCC#C[Si](C)(C)C)CCO
InChIInChI=1S/C12H22OSi/c1-12(9-10-13)8-6-5-7-11-14(2,3)4/h8,13H,5-6,9-10H2,1-4H3/b12-8+
InChIKeyJZQIUIVCQLAERW-XYOKQWHBSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-8-trimethylsilyloct-3-en-7-yn-1-ol?
The IUPAC name of (E)-3-methyl-8-trimethylsilyloct-3-en-7-yn-1-ol (CID 134992005) is (E)-3-methyl-8-trimethylsilyloct-3-en-7-yn-1-ol.
What is the SMILES notation for (E)-3-methyl-8-trimethylsilyloct-3-en-7-yn-1-ol?
The canonical SMILES for (E)-3-methyl-8-trimethylsilyloct-3-en-7-yn-1-ol is C/C(=C\CCC#C[Si](C)(C)C)CCO.
What is the InChIKey of (E)-3-methyl-8-trimethylsilyloct-3-en-7-yn-1-ol?
The InChIKey is JZQIUIVCQLAERW-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H22OSi/c1-12(9-10-13)8-6-5-7-11-14(2,3)4/h8,13H,5-6,9-10H2,1-4H3/b12-8+.
What are the key properties of (E)-3-methyl-8-trimethylsilyloct-3-en-7-yn-1-ol?
(E)-3-methyl-8-trimethylsilyloct-3-en-7-yn-1-ol has a molecular weight of 210.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-8-trimethylsilyloct-3-en-7-yn-1-ol is sourced from PubChem (CID 134992005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).