pent-3-ynoxy-di(propan-2-yl)silane

C11H22OSi — CID 59925975

IUPACpent-3-ynoxy-di(propan-2-yl)silane
SMILESCC#CCCO[SiH](C(C)C)C(C)C
InChIInChI=1S/C11H22OSi/c1-6-7-8-9-12-13(10(2)3)11(4)5/h10-11,13H,8-9H2,1-5H3
InChIKeyJSJKTSSPLIBMRJ-UHFFFAOYSA-N
MW198.38 g/mol
LogP2.96
Rot. Bonds5

About pent-3-ynoxy-di(propan-2-yl)silane

pent-3-ynoxy-di(propan-2-yl)silane (PubChem CID 59925975) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is pent-3-ynoxy-di(propan-2-yl)silane.

Molecular Properties

Compound Namepent-3-ynoxy-di(propan-2-yl)silane
PubChem CID59925975
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Namepent-3-ynoxy-di(propan-2-yl)silane
SMILESCC#CCCO[SiH](C(C)C)C(C)C
InChIInChI=1S/C11H22OSi/c1-6-7-8-9-12-13(10(2)3)11(4)5/h10-11,13H,8-9H2,1-5H3
InChIKeyJSJKTSSPLIBMRJ-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 52.96
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 pent-3-ynoxy-di(propan-2-yl)silane?
The IUPAC name of pent-3-ynoxy-di(propan-2-yl)silane (CID 59925975) is pent-3-ynoxy-di(propan-2-yl)silane.
What is the SMILES notation for pent-3-ynoxy-di(propan-2-yl)silane?
The canonical SMILES for pent-3-ynoxy-di(propan-2-yl)silane is CC#CCCO[SiH](C(C)C)C(C)C.
What is the InChIKey of pent-3-ynoxy-di(propan-2-yl)silane?
The InChIKey is JSJKTSSPLIBMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-6-7-8-9-12-13(10(2)3)11(4)5/h10-11,13H,8-9H2,1-5H3.
What are the key properties of pent-3-ynoxy-di(propan-2-yl)silane?
pent-3-ynoxy-di(propan-2-yl)silane has a molecular weight of 198.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-3-ynoxy-di(propan-2-yl)silane is sourced from PubChem (CID 59925975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).