hex-4-yn-3-yloxy-dimethyl-(2-methylpropoxy)silane

C12H24O2Si — CID 91732582

IUPAChex-4-yn-3-yloxy-dimethyl-(2-methylpropoxy)silane
SMILESCC#CC(CC)O[Si](C)(C)OCC(C)C
InChIInChI=1S/C12H24O2Si/c1-7-9-12(8-2)14-15(5,6)13-10-11(3)4/h11-12H,8,10H2,1-6H3
InChIKeyQKBILDGVPGTZRA-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.18
Rot. Bonds6

About hex-4-yn-3-yloxy-dimethyl-(2-methylpropoxy)silane

hex-4-yn-3-yloxy-dimethyl-(2-methylpropoxy)silane (PubChem CID 91732582) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is hex-4-yn-3-yloxy-dimethyl-(2-methylpropoxy)silane.

Molecular Properties

Compound Namehex-4-yn-3-yloxy-dimethyl-(2-methylpropoxy)silane
PubChem CID91732582
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Namehex-4-yn-3-yloxy-dimethyl-(2-methylpropoxy)silane
SMILESCC#CC(CC)O[Si](C)(C)OCC(C)C
InChIInChI=1S/C12H24O2Si/c1-7-9-12(8-2)14-15(5,6)13-10-11(3)4/h11-12H,8,10H2,1-6H3
InChIKeyQKBILDGVPGTZRA-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-tert-Butyldimethylsiloxybut-3-yne
CID 11030500
tert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]oxysilane
CID 10997990
tert-butyl-[(2S)-but-3-yn-2-yl]oxy-dimethylsilane
CID 10867152
(R)-tert-butyldimethyl(pent-4-yn-2-yloxy)silane
CID 10910507
(3R)-3-(tert-butyl(dimethyl)silyl)oxy-1-butyne
CID 11030608
Trimethyl(pent-1-yn-3-yloxy)silane
CID 14934043
Tert-butyl-dimethyl-(4-trimethylsilylbut-3-yn-2-yloxy)silane
CID 72796492
tert-butyl-dimethyl-[(3S)-pent-1-yn-3-yl]oxysilane
CID 87984696
3-Triisobutyloxyhex-4-yne
CID 531261
3-Dimethylisopropylsilyloxyhex-4-yne
CID 531287
3-Tripropylsilyloxyhex-4-yne
CID 531305
3-Butyldimethylsilyloxyhex-4-yne
CID 531326

Frequently Asked Questions

What is the IUPAC name of hex-4-yn-3-yloxy-dimethyl-(2-methylpropoxy)silane?
The IUPAC name of hex-4-yn-3-yloxy-dimethyl-(2-methylpropoxy)silane (CID 91732582) is hex-4-yn-3-yloxy-dimethyl-(2-methylpropoxy)silane.
What is the SMILES notation for hex-4-yn-3-yloxy-dimethyl-(2-methylpropoxy)silane?
The canonical SMILES for hex-4-yn-3-yloxy-dimethyl-(2-methylpropoxy)silane is CC#CC(CC)O[Si](C)(C)OCC(C)C.
What is the InChIKey of hex-4-yn-3-yloxy-dimethyl-(2-methylpropoxy)silane?
The InChIKey is QKBILDGVPGTZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-7-9-12(8-2)14-15(5,6)13-10-11(3)4/h11-12H,8,10H2,1-6H3.
What are the key properties of hex-4-yn-3-yloxy-dimethyl-(2-methylpropoxy)silane?
hex-4-yn-3-yloxy-dimethyl-(2-methylpropoxy)silane has a molecular weight of 228.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-4-yn-3-yloxy-dimethyl-(2-methylpropoxy)silane is sourced from PubChem (CID 91732582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).