hex-4-yn-3-yloxy-dimethyl-propan-2-ylsilane

C11H22OSi — CID 531287

IUPAChex-4-yn-3-yloxy-dimethyl-propan-2-ylsilane
SMILESCC#CC(CC)O[Si](C)(C)C(C)C
InChIInChI=1S/C11H22OSi/c1-7-9-11(8-2)12-13(5,6)10(3)4/h10-11H,8H2,1-6H3
InChIKeyFGUTUQMSFOOLSP-UHFFFAOYSA-N
MW198.38 g/mol
LogP3.42
Rot. Bonds4

About hex-4-yn-3-yloxy-dimethyl-propan-2-ylsilane

hex-4-yn-3-yloxy-dimethyl-propan-2-ylsilane (PubChem CID 531287) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is hex-4-yn-3-yloxy-dimethyl-propan-2-ylsilane.

Molecular Properties

Compound Namehex-4-yn-3-yloxy-dimethyl-propan-2-ylsilane
PubChem CID531287
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Namehex-4-yn-3-yloxy-dimethyl-propan-2-ylsilane
SMILESCC#CC(CC)O[Si](C)(C)C(C)C
InChIInChI=1S/C11H22OSi/c1-7-9-11(8-2)12-13(5,6)10(3)4/h10-11H,8H2,1-6H3
InChIKeyFGUTUQMSFOOLSP-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 53.42
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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Related Compounds

3-(Trimethylsilyloxy)-1-butyne
CID 28817
(But-3-yn-1-yloxy)(tert-butyl)dimethylsilane
CID 4304567
2-tert-Butyldimethylsiloxybut-3-yne
CID 11030500
Silane, trimethyl[3-[(trimethylsilyl)oxy]-1-propynyl]-
CID 359338
Isopropoxy(triethyl) silane
CID 262867
2-Butanol, tert-butyldimethylsilyl ether
CID 14897891
Silane, (1,1-dimethylethyl)dimethyl(1-methylethoxy)-
CID 15696081
[(2S)-but-3-yn-2-yl]oxy-trimethylsilane
CID 10953626
2-Butoxy(triethyl)silane
CID 594352
Triisopropyl-prop-2-ynyloxy-silane
CID 10932773
Silane, triethyl(2-propynyloxy)-
CID 11252306
Trimethyl[4-[(trimethylsilyl)oxy]-1-butynyl]silane
CID 11745995

Frequently Asked Questions

What is the IUPAC name of hex-4-yn-3-yloxy-dimethyl-propan-2-ylsilane?
The IUPAC name of hex-4-yn-3-yloxy-dimethyl-propan-2-ylsilane (CID 531287) is hex-4-yn-3-yloxy-dimethyl-propan-2-ylsilane.
What is the SMILES notation for hex-4-yn-3-yloxy-dimethyl-propan-2-ylsilane?
The canonical SMILES for hex-4-yn-3-yloxy-dimethyl-propan-2-ylsilane is CC#CC(CC)O[Si](C)(C)C(C)C.
What is the InChIKey of hex-4-yn-3-yloxy-dimethyl-propan-2-ylsilane?
The InChIKey is FGUTUQMSFOOLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-7-9-11(8-2)12-13(5,6)10(3)4/h10-11H,8H2,1-6H3.
What are the key properties of hex-4-yn-3-yloxy-dimethyl-propan-2-ylsilane?
hex-4-yn-3-yloxy-dimethyl-propan-2-ylsilane has a molecular weight of 198.38 g/mol, XLogP of 3.42, 4 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-dimethyl-propan-2-ylsilane is sourced from PubChem (CID 531287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).