2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-propan-2-ylsilane

C15H28OSi — CID 531290

IUPAC2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-propan-2-ylsilane
SMILESC=C(C)C#CC(CC(C)C)O[Si](C)(C)C(C)C
InChIInChI=1S/C15H28OSi/c1-12(2)9-10-15(11-13(3)4)16-17(7,8)14(5)6/h13-15H,1,11H2,2-8H3
InChIKeyFKUZEKMTIKUSSL-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.61
Rot. Bonds5

About 2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-propan-2-ylsilane

2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-propan-2-ylsilane (PubChem CID 531290) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is 2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-propan-2-ylsilane.

Molecular Properties

Compound Name2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-propan-2-ylsilane
PubChem CID531290
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-propan-2-ylsilane
SMILESC=C(C)C#CC(CC(C)C)O[Si](C)(C)C(C)C
InChIInChI=1S/C15H28OSi/c1-12(2)9-10-15(11-13(3)4)16-17(7,8)14(5)6/h13-15H,1,11H2,2-8H3
InChIKeyFKUZEKMTIKUSSL-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.61
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 2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-propan-2-ylsilane?
The IUPAC name of 2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-propan-2-ylsilane (CID 531290) is 2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-propan-2-ylsilane.
What is the SMILES notation for 2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-propan-2-ylsilane?
The canonical SMILES for 2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-propan-2-ylsilane is C=C(C)C#CC(CC(C)C)O[Si](C)(C)C(C)C.
What is the InChIKey of 2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-propan-2-ylsilane?
The InChIKey is FKUZEKMTIKUSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-12(2)9-10-15(11-13(3)4)16-17(7,8)14(5)6/h13-15H,1,11H2,2-8H3.
What are the key properties of 2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-propan-2-ylsilane?
2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-propan-2-ylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyloct-7-en-5-yn-4-yloxy-dimethyl-propan-2-ylsilane is sourced from PubChem (CID 531290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).