[(E)-4,5-dimethylhept-5-en-1-yn-4-yl]oxy-trimethylsilane

C12H22OSi — CID 102275492

IUPAC[(E)-4,5-dimethylhept-5-en-1-yn-4-yl]oxy-trimethylsilane
SMILESC#CCC(C)(O[Si](C)(C)C)/C(C)=C/C
InChIInChI=1S/C12H22OSi/c1-8-10-12(4,11(3)9-2)13-14(5,6)7/h1,9H,10H2,2-7H3/b11-9+
InChIKeyOJBPIZNISYTTHR-PKNBQFBNSA-N
MW210.39 g/mol
LogP3.59
Rot. Bonds4

About [(E)-4,5-dimethylhept-5-en-1-yn-4-yl]oxy-trimethylsilane

[(E)-4,5-dimethylhept-5-en-1-yn-4-yl]oxy-trimethylsilane (PubChem CID 102275492) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is [(E)-4,5-dimethylhept-5-en-1-yn-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(E)-4,5-dimethylhept-5-en-1-yn-4-yl]oxy-trimethylsilane
PubChem CID102275492
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name[(E)-4,5-dimethylhept-5-en-1-yn-4-yl]oxy-trimethylsilane
SMILESC#CCC(C)(O[Si](C)(C)C)/C(C)=C/C
InChIInChI=1S/C12H22OSi/c1-8-10-12(4,11(3)9-2)13-14(5,6)7/h1,9H,10H2,2-7H3/b11-9+
InChIKeyOJBPIZNISYTTHR-PKNBQFBNSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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)-4,5-dimethylhept-5-en-1-yn-4-yl]oxy-trimethylsilane?
The IUPAC name of [(E)-4,5-dimethylhept-5-en-1-yn-4-yl]oxy-trimethylsilane (CID 102275492) is [(E)-4,5-dimethylhept-5-en-1-yn-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(E)-4,5-dimethylhept-5-en-1-yn-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(E)-4,5-dimethylhept-5-en-1-yn-4-yl]oxy-trimethylsilane is C#CCC(C)(O[Si](C)(C)C)/C(C)=C/C.
What is the InChIKey of [(E)-4,5-dimethylhept-5-en-1-yn-4-yl]oxy-trimethylsilane?
The InChIKey is OJBPIZNISYTTHR-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H22OSi/c1-8-10-12(4,11(3)9-2)13-14(5,6)7/h1,9H,10H2,2-7H3/b11-9+.
What are the key properties of [(E)-4,5-dimethylhept-5-en-1-yn-4-yl]oxy-trimethylsilane?
[(E)-4,5-dimethylhept-5-en-1-yn-4-yl]oxy-trimethylsilane has a molecular weight of 210.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4,5-dimethylhept-5-en-1-yn-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 102275492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).