hex-4-yn-3-yloxy(trimethyl)silane

C9H18OSi — CID 588002

IUPAChex-4-yn-3-yloxy(trimethyl)silane
SMILESCC#CC(CC)O[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-6-8-9(7-2)10-11(3,4)5/h9H,7H2,1-5H3
InChIKeyRSMXHIHYFQKSBJ-UHFFFAOYSA-N
MW170.33 g/mol
LogP2.64
Rot. Bonds3

About hex-4-yn-3-yloxy(trimethyl)silane

hex-4-yn-3-yloxy(trimethyl)silane (PubChem CID 588002) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is hex-4-yn-3-yloxy(trimethyl)silane.

Molecular Properties

Compound Namehex-4-yn-3-yloxy(trimethyl)silane
PubChem CID588002
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Namehex-4-yn-3-yloxy(trimethyl)silane
SMILESCC#CC(CC)O[Si](C)(C)C
InChIInChI=1S/C9H18OSi/c1-6-8-9(7-2)10-11(3,4)5/h9H,7H2,1-5H3
InChIKeyRSMXHIHYFQKSBJ-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 52.64
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 hex-4-yn-3-yloxy(trimethyl)silane?
The IUPAC name of hex-4-yn-3-yloxy(trimethyl)silane (CID 588002) is hex-4-yn-3-yloxy(trimethyl)silane.
What is the SMILES notation for hex-4-yn-3-yloxy(trimethyl)silane?
The canonical SMILES for hex-4-yn-3-yloxy(trimethyl)silane is CC#CC(CC)O[Si](C)(C)C.
What is the InChIKey of hex-4-yn-3-yloxy(trimethyl)silane?
The InChIKey is RSMXHIHYFQKSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OSi/c1-6-8-9(7-2)10-11(3,4)5/h9H,7H2,1-5H3.
What are the key properties of hex-4-yn-3-yloxy(trimethyl)silane?
hex-4-yn-3-yloxy(trimethyl)silane has a molecular weight of 170.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-4-yn-3-yloxy(trimethyl)silane is sourced from PubChem (CID 588002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).