3-tri(propan-2-yl)silylprop-2-ynoyl chloride

C12H21ClOSi — CID 86039588

IUPAC3-tri(propan-2-yl)silylprop-2-ynoyl chloride
SMILESCC(C)[Si](C#CC(=O)Cl)(C(C)C)C(C)C
InChIInChI=1S/C12H21ClOSi/c1-9(2)15(10(3)4,11(5)6)8-7-12(13)14/h9-11H,1-6H3
InChIKeyRHFKXLQZFSKNAQ-UHFFFAOYSA-N
MW244.84 g/mol
LogP3.97
Rot. Bonds3

About 3-tri(propan-2-yl)silylprop-2-ynoyl chloride

3-tri(propan-2-yl)silylprop-2-ynoyl chloride (PubChem CID 86039588) has the molecular formula C12H21ClOSi and a molecular weight of 244.84 g/mol. Its IUPAC name is 3-tri(propan-2-yl)silylprop-2-ynoyl chloride.

Molecular Properties

Compound Name3-tri(propan-2-yl)silylprop-2-ynoyl chloride
PubChem CID86039588
Molecular FormulaC12H21ClOSi
Molecular Weight244.84 g/mol
Exact Mass244.11
IUPAC Name3-tri(propan-2-yl)silylprop-2-ynoyl chloride
SMILESCC(C)[Si](C#CC(=O)Cl)(C(C)C)C(C)C
InChIInChI=1S/C12H21ClOSi/c1-9(2)15(10(3)4,11(5)6)8-7-12(13)14/h9-11H,1-6H3
InChIKeyRHFKXLQZFSKNAQ-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.84
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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-ynoyl chloride?
The IUPAC name of 3-tri(propan-2-yl)silylprop-2-ynoyl chloride (CID 86039588) is 3-tri(propan-2-yl)silylprop-2-ynoyl chloride.
What is the SMILES notation for 3-tri(propan-2-yl)silylprop-2-ynoyl chloride?
The canonical SMILES for 3-tri(propan-2-yl)silylprop-2-ynoyl chloride is CC(C)[Si](C#CC(=O)Cl)(C(C)C)C(C)C.
What is the InChIKey of 3-tri(propan-2-yl)silylprop-2-ynoyl chloride?
The InChIKey is RHFKXLQZFSKNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClOSi/c1-9(2)15(10(3)4,11(5)6)8-7-12(13)14/h9-11H,1-6H3.
What are the key properties of 3-tri(propan-2-yl)silylprop-2-ynoyl chloride?
3-tri(propan-2-yl)silylprop-2-ynoyl chloride has a molecular weight of 244.84 g/mol, XLogP of 3.97, 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-ynoyl chloride is sourced from PubChem (CID 86039588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).