(6-methoxy-3,3,6-trimethylhepta-1,4-diynyl)-trimethylsilane

C14H24OSi — CID 13205392

IUPAC(6-methoxy-3,3,6-trimethylhepta-1,4-diynyl)-trimethylsilane
SMILESCOC(C)(C)C#CC(C)(C)C#C[Si](C)(C)C
InChIInChI=1S/C14H24OSi/c1-13(2,11-12-16(6,7)8)9-10-14(3,4)15-5/h1-8H3
InChIKeyUQOQJAFDQXFAIY-UHFFFAOYSA-N
MW236.43 g/mol
LogP3.32
Rot. Bonds1

About (6-methoxy-3,3,6-trimethylhepta-1,4-diynyl)-trimethylsilane

(6-methoxy-3,3,6-trimethylhepta-1,4-diynyl)-trimethylsilane (PubChem CID 13205392) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is (6-methoxy-3,3,6-trimethylhepta-1,4-diynyl)-trimethylsilane.

Molecular Properties

Compound Name(6-methoxy-3,3,6-trimethylhepta-1,4-diynyl)-trimethylsilane
PubChem CID13205392
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name(6-methoxy-3,3,6-trimethylhepta-1,4-diynyl)-trimethylsilane
SMILESCOC(C)(C)C#CC(C)(C)C#C[Si](C)(C)C
InChIInChI=1S/C14H24OSi/c1-13(2,11-12-16(6,7)8)9-10-14(3,4)15-5/h1-8H3
InChIKeyUQOQJAFDQXFAIY-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
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 (6-methoxy-3,3,6-trimethylhepta-1,4-diynyl)-trimethylsilane?
The IUPAC name of (6-methoxy-3,3,6-trimethylhepta-1,4-diynyl)-trimethylsilane (CID 13205392) is (6-methoxy-3,3,6-trimethylhepta-1,4-diynyl)-trimethylsilane.
What is the SMILES notation for (6-methoxy-3,3,6-trimethylhepta-1,4-diynyl)-trimethylsilane?
The canonical SMILES for (6-methoxy-3,3,6-trimethylhepta-1,4-diynyl)-trimethylsilane is COC(C)(C)C#CC(C)(C)C#C[Si](C)(C)C.
What is the InChIKey of (6-methoxy-3,3,6-trimethylhepta-1,4-diynyl)-trimethylsilane?
The InChIKey is UQOQJAFDQXFAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OSi/c1-13(2,11-12-16(6,7)8)9-10-14(3,4)15-5/h1-8H3.
What are the key properties of (6-methoxy-3,3,6-trimethylhepta-1,4-diynyl)-trimethylsilane?
(6-methoxy-3,3,6-trimethylhepta-1,4-diynyl)-trimethylsilane has a molecular weight of 236.43 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3,3,6-trimethylhepta-1,4-diynyl)-trimethylsilane is sourced from PubChem (CID 13205392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).