(2R)-2-benzyl-2,4-dimethylpentanoyl chloride

C14H19ClO — CID 146469685

IUPAC(2R)-2-benzyl-2,4-dimethylpentanoyl chloride
SMILESCC(C)C[C@](C)(Cc1ccccc1)C(=O)Cl
InChIInChI=1S/C14H19ClO/c1-11(2)9-14(3,13(15)16)10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/t14-/m1/s1
InChIKeyXDTRIYXIHFPENB-CQSZACIVSA-N
MW238.76 g/mol
LogP4.05
Rot. Bonds5

About (2R)-2-benzyl-2,4-dimethylpentanoyl chloride

(2R)-2-benzyl-2,4-dimethylpentanoyl chloride (PubChem CID 146469685) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is (2R)-2-benzyl-2,4-dimethylpentanoyl chloride.

Molecular Properties

Compound Name(2R)-2-benzyl-2,4-dimethylpentanoyl chloride
PubChem CID146469685
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name(2R)-2-benzyl-2,4-dimethylpentanoyl chloride
SMILESCC(C)C[C@](C)(Cc1ccccc1)C(=O)Cl
InChIInChI=1S/C14H19ClO/c1-11(2)9-14(3,13(15)16)10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/t14-/m1/s1
InChIKeyXDTRIYXIHFPENB-CQSZACIVSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-4,4,4-trifluoro-2-methylbutanoyl chloride
CID 146469643
2,2-dimethylpropylbenzene;methanol
CID 157125736
3-benzyl-5-methylhexan-3-ol
CID 79008448
(2R)-2-amino-2-benzyl-4-methylpentanamide
CID 66678418
2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane
CID 159235518
[2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene
CID 169096985
2-benzyl-2-methylbutanoate
CID 53446573
2-phenyl-N-(2,2,4-trimethylpentyl)acetamide
CID 165399012
(2R)-2-benzyl-2,4-dimethylpentanoic acid;(2R)-2-benzyl-2,4-dimethylpentanoyl chloride;(3R)-3-benzyl-1-(8-fluoro-2-methylquinolin-3-yl)-3,5-dimethylhexan-2-one;8-fluoro-2-methylquinolin-3-amine
CID 163875128
2,5-dimethyl-1-phenylhexan-2-ol
CID 63011565
4,4-dichloro-2,2-dimethyl-1-phenylpentan-3-one
CID 15444576
4-hydroxy-2-methyl-1,2-diphenylpentan-3-one
CID 174770449

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-2,4-dimethylpentanoyl chloride?
The IUPAC name of (2R)-2-benzyl-2,4-dimethylpentanoyl chloride (CID 146469685) is (2R)-2-benzyl-2,4-dimethylpentanoyl chloride.
What is the SMILES notation for (2R)-2-benzyl-2,4-dimethylpentanoyl chloride?
The canonical SMILES for (2R)-2-benzyl-2,4-dimethylpentanoyl chloride is CC(C)C[C@](C)(Cc1ccccc1)C(=O)Cl.
What is the InChIKey of (2R)-2-benzyl-2,4-dimethylpentanoyl chloride?
The InChIKey is XDTRIYXIHFPENB-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19ClO/c1-11(2)9-14(3,13(15)16)10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-2-benzyl-2,4-dimethylpentanoyl chloride?
(2R)-2-benzyl-2,4-dimethylpentanoyl chloride has a molecular weight of 238.76 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-2,4-dimethylpentanoyl chloride is sourced from PubChem (CID 146469685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).