dimethyl-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane

C10H20OSi — CID 171040994

IUPACdimethyl-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane
SMILESC[SiH](C)C#CCCOC(C)(C)C
InChIInChI=1S/C10H20OSi/c1-10(2,3)11-8-6-7-9-12(4)5/h12H,6,8H2,1-5H3
InChIKeyTYOSBWIPVFOMJK-UHFFFAOYSA-N
MW184.35 g/mol
LogP2.22
Rot. Bonds2

About dimethyl-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane

dimethyl-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane (PubChem CID 171040994) has the molecular formula C10H20OSi and a molecular weight of 184.35 g/mol. Its IUPAC name is dimethyl-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane.

Molecular Properties

Compound Namedimethyl-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane
PubChem CID171040994
Molecular FormulaC10H20OSi
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Namedimethyl-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane
SMILESC[SiH](C)C#CCCOC(C)(C)C
InChIInChI=1S/C10H20OSi/c1-10(2,3)11-8-6-7-9-12(4)5/h12H,6,8H2,1-5H3
InChIKeyTYOSBWIPVFOMJK-UHFFFAOYSA-N
XLogP2.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 dimethyl-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane?
The IUPAC name of dimethyl-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane (CID 171040994) is dimethyl-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane.
What is the SMILES notation for dimethyl-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane?
The canonical SMILES for dimethyl-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane is C[SiH](C)C#CCCOC(C)(C)C.
What is the InChIKey of dimethyl-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane?
The InChIKey is TYOSBWIPVFOMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OSi/c1-10(2,3)11-8-6-7-9-12(4)5/h12H,6,8H2,1-5H3.
What are the key properties of dimethyl-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane?
dimethyl-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane has a molecular weight of 184.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane is sourced from PubChem (CID 171040994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).