dimethyl-(2-methyloct-5-yn-4-yloxy)-propan-2-ylsilane

C14H28OSi — CID 531289

IUPACdimethyl-(2-methyloct-5-yn-4-yloxy)-propan-2-ylsilane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)C(C)C
InChIInChI=1S/C14H28OSi/c1-8-9-10-14(11-12(2)3)15-16(6,7)13(4)5/h12-14H,8,11H2,1-7H3
InChIKeyFICCWTBJGIUULW-UHFFFAOYSA-N
MW240.46 g/mol
LogP4.45
Rot. Bonds5

About dimethyl-(2-methyloct-5-yn-4-yloxy)-propan-2-ylsilane

dimethyl-(2-methyloct-5-yn-4-yloxy)-propan-2-ylsilane (PubChem CID 531289) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is dimethyl-(2-methyloct-5-yn-4-yloxy)-propan-2-ylsilane.

Molecular Properties

Compound Namedimethyl-(2-methyloct-5-yn-4-yloxy)-propan-2-ylsilane
PubChem CID531289
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Namedimethyl-(2-methyloct-5-yn-4-yloxy)-propan-2-ylsilane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)C(C)C
InChIInChI=1S/C14H28OSi/c1-8-9-10-14(11-12(2)3)15-16(6,7)13(4)5/h12-14H,8,11H2,1-7H3
InChIKeyFICCWTBJGIUULW-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.45
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 dimethyl-(2-methyloct-5-yn-4-yloxy)-propan-2-ylsilane?
The IUPAC name of dimethyl-(2-methyloct-5-yn-4-yloxy)-propan-2-ylsilane (CID 531289) is dimethyl-(2-methyloct-5-yn-4-yloxy)-propan-2-ylsilane.
What is the SMILES notation for dimethyl-(2-methyloct-5-yn-4-yloxy)-propan-2-ylsilane?
The canonical SMILES for dimethyl-(2-methyloct-5-yn-4-yloxy)-propan-2-ylsilane is CCC#CC(CC(C)C)O[Si](C)(C)C(C)C.
What is the InChIKey of dimethyl-(2-methyloct-5-yn-4-yloxy)-propan-2-ylsilane?
The InChIKey is FICCWTBJGIUULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-8-9-10-14(11-12(2)3)15-16(6,7)13(4)5/h12-14H,8,11H2,1-7H3.
What are the key properties of dimethyl-(2-methyloct-5-yn-4-yloxy)-propan-2-ylsilane?
dimethyl-(2-methyloct-5-yn-4-yloxy)-propan-2-ylsilane has a molecular weight of 240.46 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methyloct-5-yn-4-yloxy)-propan-2-ylsilane is sourced from PubChem (CID 531289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).