2,2,3,3-tetramethylbutanoyl chloride

C8H15ClO — CID 13262533

IUPAC2,2,3,3-tetramethylbutanoyl chloride
SMILESCC(C)(C)C(C)(C)C(=O)Cl
InChIInChI=1S/C8H15ClO/c1-7(2,3)8(4,5)6(9)10/h1-5H3
InChIKeyRBAAQYGQKQJKMR-UHFFFAOYSA-N
MW162.66 g/mol
LogP2.82
Rot. Bonds1

About 2,2,3,3-tetramethylbutanoyl chloride

2,2,3,3-tetramethylbutanoyl chloride (PubChem CID 13262533) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is 2,2,3,3-tetramethylbutanoyl chloride.

Molecular Properties

Compound Name2,2,3,3-tetramethylbutanoyl chloride
PubChem CID13262533
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name2,2,3,3-tetramethylbutanoyl chloride
SMILESCC(C)(C)C(C)(C)C(=O)Cl
InChIInChI=1S/C8H15ClO/c1-7(2,3)8(4,5)6(9)10/h1-5H3
InChIKeyRBAAQYGQKQJKMR-UHFFFAOYSA-N
XLogP2.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethylbutanoyl chloride?
The IUPAC name of 2,2,3,3-tetramethylbutanoyl chloride (CID 13262533) is 2,2,3,3-tetramethylbutanoyl chloride.
What is the SMILES notation for 2,2,3,3-tetramethylbutanoyl chloride?
The canonical SMILES for 2,2,3,3-tetramethylbutanoyl chloride is CC(C)(C)C(C)(C)C(=O)Cl.
What is the InChIKey of 2,2,3,3-tetramethylbutanoyl chloride?
The InChIKey is RBAAQYGQKQJKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO/c1-7(2,3)8(4,5)6(9)10/h1-5H3.
What are the key properties of 2,2,3,3-tetramethylbutanoyl chloride?
2,2,3,3-tetramethylbutanoyl chloride has a molecular weight of 162.66 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethylbutanoyl chloride is sourced from PubChem (CID 13262533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).