(E)-4-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol

C11H20OSi — CID 10559817

IUPAC(E)-4-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol
SMILESC/C(=C\C#C[Si](C)(C)C)CCCO
InChIInChI=1S/C11H20OSi/c1-11(7-5-9-12)8-6-10-13(2,3)4/h8,12H,5,7,9H2,1-4H3/b11-8+
InChIKeyTZIORXBDDAINRI-DHZHZOJOSA-N
MW196.37 g/mol
LogP2.59
Rot. Bonds3

About (E)-4-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol

(E)-4-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol (PubChem CID 10559817) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is (E)-4-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol.

Molecular Properties

Compound Name(E)-4-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol
PubChem CID10559817
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name(E)-4-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol
SMILESC/C(=C\C#C[Si](C)(C)C)CCCO
InChIInChI=1S/C11H20OSi/c1-11(7-5-9-12)8-6-10-13(2,3)4/h8,12H,5,7,9H2,1-4H3/b11-8+
InChIKeyTZIORXBDDAINRI-DHZHZOJOSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-4-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol?
The IUPAC name of (E)-4-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol (CID 10559817) is (E)-4-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol.
What is the SMILES notation for (E)-4-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol?
The canonical SMILES for (E)-4-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol is C/C(=C\C#C[Si](C)(C)C)CCCO.
What is the InChIKey of (E)-4-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol?
The InChIKey is TZIORXBDDAINRI-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H20OSi/c1-11(7-5-9-12)8-6-10-13(2,3)4/h8,12H,5,7,9H2,1-4H3/b11-8+.
What are the key properties of (E)-4-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol?
(E)-4-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol has a molecular weight of 196.37 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol is sourced from PubChem (CID 10559817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).