[(Z)-4-chlorobut-3-en-1-ynyl]-tri(propan-2-yl)silane

C13H23ClSi — CID 10966721

IUPAC[(Z)-4-chlorobut-3-en-1-ynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#C/C=C\Cl)(C(C)C)C(C)C
InChIInChI=1S/C13H23ClSi/c1-11(2)15(12(3)4,13(5)6)10-8-7-9-14/h7,9,11-13H,1-6H3/b9-7-
InChIKeyXIHUHBSTVHYJDW-CLFYSBASSA-N
MW242.87 g/mol
LogP4.96
Rot. Bonds3

About [(Z)-4-chlorobut-3-en-1-ynyl]-tri(propan-2-yl)silane

[(Z)-4-chlorobut-3-en-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 10966721) has the molecular formula C13H23ClSi and a molecular weight of 242.87 g/mol. Its IUPAC name is [(Z)-4-chlorobut-3-en-1-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(Z)-4-chlorobut-3-en-1-ynyl]-tri(propan-2-yl)silane
PubChem CID10966721
Molecular FormulaC13H23ClSi
Molecular Weight242.87 g/mol
Exact Mass242.13
IUPAC Name[(Z)-4-chlorobut-3-en-1-ynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#C/C=C\Cl)(C(C)C)C(C)C
InChIInChI=1S/C13H23ClSi/c1-11(2)15(12(3)4,13(5)6)10-8-7-9-14/h7,9,11-13H,1-6H3/b9-7-
InChIKeyXIHUHBSTVHYJDW-CLFYSBASSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.87
LogP ≤ 54.96
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 [(Z)-4-chlorobut-3-en-1-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(Z)-4-chlorobut-3-en-1-ynyl]-tri(propan-2-yl)silane (CID 10966721) is [(Z)-4-chlorobut-3-en-1-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(Z)-4-chlorobut-3-en-1-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(Z)-4-chlorobut-3-en-1-ynyl]-tri(propan-2-yl)silane is CC(C)[Si](C#C/C=C\Cl)(C(C)C)C(C)C.
What is the InChIKey of [(Z)-4-chlorobut-3-en-1-ynyl]-tri(propan-2-yl)silane?
The InChIKey is XIHUHBSTVHYJDW-CLFYSBASSA-N. The full InChI is InChI=1S/C13H23ClSi/c1-11(2)15(12(3)4,13(5)6)10-8-7-9-14/h7,9,11-13H,1-6H3/b9-7-.
What are the key properties of [(Z)-4-chlorobut-3-en-1-ynyl]-tri(propan-2-yl)silane?
[(Z)-4-chlorobut-3-en-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 242.87 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-chlorobut-3-en-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 10966721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).