3-methylbut-1-ynoxy-tri(propan-2-yl)silane

C14H28OSi — CID 11085905

IUPAC3-methylbut-1-ynoxy-tri(propan-2-yl)silane
SMILESCC(C)C#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28OSi/c1-11(2)9-10-15-16(12(3)4,13(5)6)14(7)8/h11-14H,1-8H3
InChIKeyCYPGIANBWRLFAN-UHFFFAOYSA-N
MW240.46 g/mol
LogP4.80
Rot. Bonds4

About 3-methylbut-1-ynoxy-tri(propan-2-yl)silane

3-methylbut-1-ynoxy-tri(propan-2-yl)silane (PubChem CID 11085905) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is 3-methylbut-1-ynoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-methylbut-1-ynoxy-tri(propan-2-yl)silane
PubChem CID11085905
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name3-methylbut-1-ynoxy-tri(propan-2-yl)silane
SMILESCC(C)C#CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28OSi/c1-11(2)9-10-15-16(12(3)4,13(5)6)14(7)8/h11-14H,1-8H3
InChIKeyCYPGIANBWRLFAN-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.80
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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Frequently Asked Questions

What is the IUPAC name of 3-methylbut-1-ynoxy-tri(propan-2-yl)silane?
The IUPAC name of 3-methylbut-1-ynoxy-tri(propan-2-yl)silane (CID 11085905) is 3-methylbut-1-ynoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 3-methylbut-1-ynoxy-tri(propan-2-yl)silane?
The canonical SMILES for 3-methylbut-1-ynoxy-tri(propan-2-yl)silane is CC(C)C#CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-methylbut-1-ynoxy-tri(propan-2-yl)silane?
The InChIKey is CYPGIANBWRLFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-11(2)9-10-15-16(12(3)4,13(5)6)14(7)8/h11-14H,1-8H3.
What are the key properties of 3-methylbut-1-ynoxy-tri(propan-2-yl)silane?
3-methylbut-1-ynoxy-tri(propan-2-yl)silane has a molecular weight of 240.46 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-1-ynoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11085905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).