2-methyloct-5-yn-4-yloxy(tripropyl)silane

C18H36OSi — CID 531307

IUPAC2-methyloct-5-yn-4-yloxy(tripropyl)silane
SMILESCCC#CC(CC(C)C)O[Si](CCC)(CCC)CCC
InChIInChI=1S/C18H36OSi/c1-7-11-12-18(16-17(5)6)19-20(13-8-2,14-9-3)15-10-4/h17-18H,7-10,13-16H2,1-6H3
InChIKeyUTAHWTCXDOMCRY-UHFFFAOYSA-N
MW296.57 g/mol
LogP6.01
Rot. Bonds10

About 2-methyloct-5-yn-4-yloxy(tripropyl)silane

2-methyloct-5-yn-4-yloxy(tripropyl)silane (PubChem CID 531307) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is 2-methyloct-5-yn-4-yloxy(tripropyl)silane.

Molecular Properties

Compound Name2-methyloct-5-yn-4-yloxy(tripropyl)silane
PubChem CID531307
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Name2-methyloct-5-yn-4-yloxy(tripropyl)silane
SMILESCCC#CC(CC(C)C)O[Si](CCC)(CCC)CCC
InChIInChI=1S/C18H36OSi/c1-7-11-12-18(16-17(5)6)19-20(13-8-2,14-9-3)15-10-4/h17-18H,7-10,13-16H2,1-6H3
InChIKeyUTAHWTCXDOMCRY-UHFFFAOYSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 56.01
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-methyloct-5-yn-4-yloxy(tripropyl)silane?
The IUPAC name of 2-methyloct-5-yn-4-yloxy(tripropyl)silane (CID 531307) is 2-methyloct-5-yn-4-yloxy(tripropyl)silane.
What is the SMILES notation for 2-methyloct-5-yn-4-yloxy(tripropyl)silane?
The canonical SMILES for 2-methyloct-5-yn-4-yloxy(tripropyl)silane is CCC#CC(CC(C)C)O[Si](CCC)(CCC)CCC.
What is the InChIKey of 2-methyloct-5-yn-4-yloxy(tripropyl)silane?
The InChIKey is UTAHWTCXDOMCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36OSi/c1-7-11-12-18(16-17(5)6)19-20(13-8-2,14-9-3)15-10-4/h17-18H,7-10,13-16H2,1-6H3.
What are the key properties of 2-methyloct-5-yn-4-yloxy(tripropyl)silane?
2-methyloct-5-yn-4-yloxy(tripropyl)silane has a molecular weight of 296.57 g/mol, XLogP of 6.01, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloct-5-yn-4-yloxy(tripropyl)silane is sourced from PubChem (CID 531307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).