1-chloro-6-trimethylsilylhex-5-yn-2-one

C9H15ClOSi — CID 86086771

IUPAC1-chloro-6-trimethylsilylhex-5-yn-2-one
SMILESC[Si](C)(C)C#CCCC(=O)CCl
InChIInChI=1S/C9H15ClOSi/c1-12(2,3)7-5-4-6-9(11)8-10/h4,6,8H2,1-3H3
InChIKeyWFVGAGOOLJXDAW-UHFFFAOYSA-N
MW202.76 g/mol
LogP2.46
Rot. Bonds3

About 1-chloro-6-trimethylsilylhex-5-yn-2-one

1-chloro-6-trimethylsilylhex-5-yn-2-one (PubChem CID 86086771) has the molecular formula C9H15ClOSi and a molecular weight of 202.76 g/mol. Its IUPAC name is 1-chloro-6-trimethylsilylhex-5-yn-2-one.

Molecular Properties

Compound Name1-chloro-6-trimethylsilylhex-5-yn-2-one
PubChem CID86086771
Molecular FormulaC9H15ClOSi
Molecular Weight202.76 g/mol
Exact Mass202.06
IUPAC Name1-chloro-6-trimethylsilylhex-5-yn-2-one
SMILESC[Si](C)(C)C#CCCC(=O)CCl
InChIInChI=1S/C9H15ClOSi/c1-12(2,3)7-5-4-6-9(11)8-10/h4,6,8H2,1-3H3
InChIKeyWFVGAGOOLJXDAW-UHFFFAOYSA-N
XLogP2.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.76
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_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 1-chloro-6-trimethylsilylhex-5-yn-2-one?
The IUPAC name of 1-chloro-6-trimethylsilylhex-5-yn-2-one (CID 86086771) is 1-chloro-6-trimethylsilylhex-5-yn-2-one.
What is the SMILES notation for 1-chloro-6-trimethylsilylhex-5-yn-2-one?
The canonical SMILES for 1-chloro-6-trimethylsilylhex-5-yn-2-one is C[Si](C)(C)C#CCCC(=O)CCl.
What is the InChIKey of 1-chloro-6-trimethylsilylhex-5-yn-2-one?
The InChIKey is WFVGAGOOLJXDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClOSi/c1-12(2,3)7-5-4-6-9(11)8-10/h4,6,8H2,1-3H3.
What are the key properties of 1-chloro-6-trimethylsilylhex-5-yn-2-one?
1-chloro-6-trimethylsilylhex-5-yn-2-one has a molecular weight of 202.76 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-trimethylsilylhex-5-yn-2-one is sourced from PubChem (CID 86086771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).