3-tri(propan-2-yl)silylprop-2-ynal

C12H22OSi — CID 11095897

IUPAC3-tri(propan-2-yl)silylprop-2-ynal
SMILESCC(C)[Si](C#CC=O)(C(C)C)C(C)C
InChIInChI=1S/C12H22OSi/c1-10(2)14(11(3)4,12(5)6)9-7-8-13/h8,10-12H,1-6H3
InChIKeyNXSXGYIMJNXQGE-UHFFFAOYSA-N
MW210.39 g/mol
LogP3.41
Rot. Bonds3

About 3-tri(propan-2-yl)silylprop-2-ynal

3-tri(propan-2-yl)silylprop-2-ynal (PubChem CID 11095897) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is 3-tri(propan-2-yl)silylprop-2-ynal.

Molecular Properties

Compound Name3-tri(propan-2-yl)silylprop-2-ynal
PubChem CID11095897
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name3-tri(propan-2-yl)silylprop-2-ynal
SMILESCC(C)[Si](C#CC=O)(C(C)C)C(C)C
InChIInChI=1S/C12H22OSi/c1-10(2)14(11(3)4,12(5)6)9-7-8-13/h8,10-12H,1-6H3
InChIKeyNXSXGYIMJNXQGE-UHFFFAOYSA-N
XLogP3.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 3-tri(propan-2-yl)silylprop-2-ynal?
The IUPAC name of 3-tri(propan-2-yl)silylprop-2-ynal (CID 11095897) is 3-tri(propan-2-yl)silylprop-2-ynal.
What is the SMILES notation for 3-tri(propan-2-yl)silylprop-2-ynal?
The canonical SMILES for 3-tri(propan-2-yl)silylprop-2-ynal is CC(C)[Si](C#CC=O)(C(C)C)C(C)C.
What is the InChIKey of 3-tri(propan-2-yl)silylprop-2-ynal?
The InChIKey is NXSXGYIMJNXQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi/c1-10(2)14(11(3)4,12(5)6)9-7-8-13/h8,10-12H,1-6H3.
What are the key properties of 3-tri(propan-2-yl)silylprop-2-ynal?
3-tri(propan-2-yl)silylprop-2-ynal has a molecular weight of 210.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tri(propan-2-yl)silylprop-2-ynal is sourced from PubChem (CID 11095897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).