trimethyl-[4-(oxan-2-yloxy)but-2-ynyl]silane

C12H22O2Si — CID 10987963

IUPACtrimethyl-[4-(oxan-2-yloxy)but-2-ynyl]silane
SMILESC[Si](C)(C)CC#CCOC1CCCCO1
InChIInChI=1S/C12H22O2Si/c1-15(2,3)11-7-6-10-14-12-8-4-5-9-13-12/h12H,4-5,8-11H2,1-3H3
InChIKeyQHWIHNGWERSNOP-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.87
Rot. Bonds3

About trimethyl-[4-(oxan-2-yloxy)but-2-ynyl]silane

trimethyl-[4-(oxan-2-yloxy)but-2-ynyl]silane (PubChem CID 10987963) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is trimethyl-[4-(oxan-2-yloxy)but-2-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-(oxan-2-yloxy)but-2-ynyl]silane
PubChem CID10987963
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Nametrimethyl-[4-(oxan-2-yloxy)but-2-ynyl]silane
SMILESC[Si](C)(C)CC#CCOC1CCCCO1
InChIInChI=1S/C12H22O2Si/c1-15(2,3)11-7-6-10-14-12-8-4-5-9-13-12/h12H,4-5,8-11H2,1-3H3
InChIKeyQHWIHNGWERSNOP-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(oxan-2-yloxy)but-2-ynyl]silane?
The IUPAC name of trimethyl-[4-(oxan-2-yloxy)but-2-ynyl]silane (CID 10987963) is trimethyl-[4-(oxan-2-yloxy)but-2-ynyl]silane.
What is the SMILES notation for trimethyl-[4-(oxan-2-yloxy)but-2-ynyl]silane?
The canonical SMILES for trimethyl-[4-(oxan-2-yloxy)but-2-ynyl]silane is C[Si](C)(C)CC#CCOC1CCCCO1.
What is the InChIKey of trimethyl-[4-(oxan-2-yloxy)but-2-ynyl]silane?
The InChIKey is QHWIHNGWERSNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-15(2,3)11-7-6-10-14-12-8-4-5-9-13-12/h12H,4-5,8-11H2,1-3H3.
What are the key properties of trimethyl-[4-(oxan-2-yloxy)but-2-ynyl]silane?
trimethyl-[4-(oxan-2-yloxy)but-2-ynyl]silane has a molecular weight of 226.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(oxan-2-yloxy)but-2-ynyl]silane is sourced from PubChem (CID 10987963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).