2-chloroethynyl-tri(propan-2-yl)silane

C11H21ClSi — CID 86179216

IUPAC2-chloroethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CCl)(C(C)C)C(C)C
InChIInChI=1S/C11H21ClSi/c1-9(2)13(8-7-12,10(3)4)11(5)6/h9-11H,1-6H3
InChIKeyCXRIOHNFVJINNO-UHFFFAOYSA-N
MW216.83 g/mol
LogP4.40
Rot. Bonds3

About 2-chloroethynyl-tri(propan-2-yl)silane

2-chloroethynyl-tri(propan-2-yl)silane (PubChem CID 86179216) has the molecular formula C11H21ClSi and a molecular weight of 216.83 g/mol. Its IUPAC name is 2-chloroethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-chloroethynyl-tri(propan-2-yl)silane
PubChem CID86179216
Molecular FormulaC11H21ClSi
Molecular Weight216.83 g/mol
Exact Mass216.11
IUPAC Name2-chloroethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CCl)(C(C)C)C(C)C
InChIInChI=1S/C11H21ClSi/c1-9(2)13(8-7-12,10(3)4)11(5)6/h9-11H,1-6H3
InChIKeyCXRIOHNFVJINNO-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.83
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2-chloroethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-chloroethynyl-tri(propan-2-yl)silane (CID 86179216) is 2-chloroethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-chloroethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-chloroethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#CCl)(C(C)C)C(C)C.
What is the InChIKey of 2-chloroethynyl-tri(propan-2-yl)silane?
The InChIKey is CXRIOHNFVJINNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClSi/c1-9(2)13(8-7-12,10(3)4)11(5)6/h9-11H,1-6H3.
What are the key properties of 2-chloroethynyl-tri(propan-2-yl)silane?
2-chloroethynyl-tri(propan-2-yl)silane has a molecular weight of 216.83 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 86179216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).