(4-methoxy-5-methyl-3-methylidenehex-4-en-1-ynyl)-trimethylsilane

C12H20OSi — CID 15914371

IUPAC(4-methoxy-5-methyl-3-methylidenehex-4-en-1-ynyl)-trimethylsilane
SMILESC=C(C#C[Si](C)(C)C)C(OC)=C(C)C
InChIInChI=1S/C12H20OSi/c1-10(2)12(13-4)11(3)8-9-14(5,6)7/h3H2,1-2,4-7H3
InChIKeyARDFSJUUHVFCCA-UHFFFAOYSA-N
MW208.38 g/mol
LogP3.36
Rot. Bonds2

About (4-methoxy-5-methyl-3-methylidenehex-4-en-1-ynyl)-trimethylsilane

(4-methoxy-5-methyl-3-methylidenehex-4-en-1-ynyl)-trimethylsilane (PubChem CID 15914371) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is (4-methoxy-5-methyl-3-methylidenehex-4-en-1-ynyl)-trimethylsilane.

Molecular Properties

Compound Name(4-methoxy-5-methyl-3-methylidenehex-4-en-1-ynyl)-trimethylsilane
PubChem CID15914371
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Name(4-methoxy-5-methyl-3-methylidenehex-4-en-1-ynyl)-trimethylsilane
SMILESC=C(C#C[Si](C)(C)C)C(OC)=C(C)C
InChIInChI=1S/C12H20OSi/c1-10(2)12(13-4)11(3)8-9-14(5,6)7/h3H2,1-2,4-7H3
InChIKeyARDFSJUUHVFCCA-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-5-methyl-3-methylidenehex-4-en-1-ynyl)-trimethylsilane?
The IUPAC name of (4-methoxy-5-methyl-3-methylidenehex-4-en-1-ynyl)-trimethylsilane (CID 15914371) is (4-methoxy-5-methyl-3-methylidenehex-4-en-1-ynyl)-trimethylsilane.
What is the SMILES notation for (4-methoxy-5-methyl-3-methylidenehex-4-en-1-ynyl)-trimethylsilane?
The canonical SMILES for (4-methoxy-5-methyl-3-methylidenehex-4-en-1-ynyl)-trimethylsilane is C=C(C#C[Si](C)(C)C)C(OC)=C(C)C.
What is the InChIKey of (4-methoxy-5-methyl-3-methylidenehex-4-en-1-ynyl)-trimethylsilane?
The InChIKey is ARDFSJUUHVFCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OSi/c1-10(2)12(13-4)11(3)8-9-14(5,6)7/h3H2,1-2,4-7H3.
What are the key properties of (4-methoxy-5-methyl-3-methylidenehex-4-en-1-ynyl)-trimethylsilane?
(4-methoxy-5-methyl-3-methylidenehex-4-en-1-ynyl)-trimethylsilane has a molecular weight of 208.38 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-5-methyl-3-methylidenehex-4-en-1-ynyl)-trimethylsilane is sourced from PubChem (CID 15914371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).