butyl-hex-4-yn-3-yloxy-dimethylsilane

C12H24OSi — CID 531326

IUPACbutyl-hex-4-yn-3-yloxy-dimethylsilane
SMILESCC#CC(CC)O[Si](C)(C)CCCC
InChIInChI=1S/C12H24OSi/c1-6-9-11-14(4,5)13-12(8-3)10-7-2/h12H,6,8-9,11H2,1-5H3
InChIKeyDUJZANQULDVZJS-UHFFFAOYSA-N
MW212.41 g/mol
LogP3.81
Rot. Bonds6

About butyl-hex-4-yn-3-yloxy-dimethylsilane

butyl-hex-4-yn-3-yloxy-dimethylsilane (PubChem CID 531326) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is butyl-hex-4-yn-3-yloxy-dimethylsilane.

Molecular Properties

Compound Namebutyl-hex-4-yn-3-yloxy-dimethylsilane
PubChem CID531326
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Namebutyl-hex-4-yn-3-yloxy-dimethylsilane
SMILESCC#CC(CC)O[Si](C)(C)CCCC
InChIInChI=1S/C12H24OSi/c1-6-9-11-14(4,5)13-12(8-3)10-7-2/h12H,6,8-9,11H2,1-5H3
InChIKeyDUJZANQULDVZJS-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.81
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 butyl-hex-4-yn-3-yloxy-dimethylsilane?
The IUPAC name of butyl-hex-4-yn-3-yloxy-dimethylsilane (CID 531326) is butyl-hex-4-yn-3-yloxy-dimethylsilane.
What is the SMILES notation for butyl-hex-4-yn-3-yloxy-dimethylsilane?
The canonical SMILES for butyl-hex-4-yn-3-yloxy-dimethylsilane is CC#CC(CC)O[Si](C)(C)CCCC.
What is the InChIKey of butyl-hex-4-yn-3-yloxy-dimethylsilane?
The InChIKey is DUJZANQULDVZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-6-9-11-14(4,5)13-12(8-3)10-7-2/h12H,6,8-9,11H2,1-5H3.
What are the key properties of butyl-hex-4-yn-3-yloxy-dimethylsilane?
butyl-hex-4-yn-3-yloxy-dimethylsilane has a molecular weight of 212.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-hex-4-yn-3-yloxy-dimethylsilane is sourced from PubChem (CID 531326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).