2,3,4,4-tetramethyl-2-(2-methylpropyl)pentanoyl chloride

C13H25ClO — CID 139794632

IUPAC2,3,4,4-tetramethyl-2-(2-methylpropyl)pentanoyl chloride
SMILESCC(C)CC(C)(C(=O)Cl)C(C)C(C)(C)C
InChIInChI=1S/C13H25ClO/c1-9(2)8-13(7,11(14)15)10(3)12(4,5)6/h9-10H,8H2,1-7H3
InChIKeyWUOZHKOLNQDPFB-UHFFFAOYSA-N
MW232.79 g/mol
LogP4.49
Rot. Bonds4

About 2,3,4,4-tetramethyl-2-(2-methylpropyl)pentanoyl chloride

2,3,4,4-tetramethyl-2-(2-methylpropyl)pentanoyl chloride (PubChem CID 139794632) has the molecular formula C13H25ClO and a molecular weight of 232.79 g/mol. Its IUPAC name is 2,3,4,4-tetramethyl-2-(2-methylpropyl)pentanoyl chloride.

Molecular Properties

Compound Name2,3,4,4-tetramethyl-2-(2-methylpropyl)pentanoyl chloride
PubChem CID139794632
Molecular FormulaC13H25ClO
Molecular Weight232.79 g/mol
Exact Mass232.16
IUPAC Name2,3,4,4-tetramethyl-2-(2-methylpropyl)pentanoyl chloride
SMILESCC(C)CC(C)(C(=O)Cl)C(C)C(C)(C)C
InChIInChI=1S/C13H25ClO/c1-9(2)8-13(7,11(14)15)10(3)12(4,5)6/h9-10H,8H2,1-7H3
InChIKeyWUOZHKOLNQDPFB-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.79
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,4,4-tetramethyl-2-(2-methylpropyl)pentanoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2,4-dimethyl-2-propan-2-ylpentanamide
CID 89006805
2,2,3,4,4,6-hexamethylheptane
CID 57491289
(2R)-2-benzyl-2,4-dimethylpentanoyl chloride
CID 146469685
4,4,6-trimethyl-2-oxoheptanoyl chloride
CID 88803319
2,3-dimethylbutan-2-yl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 90329075
2,3,4,6-tetramethyl-4-propan-2-ylheptane
CID 57492993
4-methyl-2,2-bis(2-methylpropyl)pentanamide
CID 170848547
3,3,5-trimethylhexan-2-one
CID 2776079
acetic acid;2,2,4-trimethylpentane;hydrate
CID 159555520
CID 89383756
CID 89383756
N-ethyl-2,3-dimethyl-2-(2-methylpropyl)pentanamide
CID 170848513
(2R)-2-amino-2,4-dimethylpentanamide
CID 14037824

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4-tetramethyl-2-(2-methylpropyl)pentanoyl chloride?
The IUPAC name of 2,3,4,4-tetramethyl-2-(2-methylpropyl)pentanoyl chloride (CID 139794632) is 2,3,4,4-tetramethyl-2-(2-methylpropyl)pentanoyl chloride.
What is the SMILES notation for 2,3,4,4-tetramethyl-2-(2-methylpropyl)pentanoyl chloride?
The canonical SMILES for 2,3,4,4-tetramethyl-2-(2-methylpropyl)pentanoyl chloride is CC(C)CC(C)(C(=O)Cl)C(C)C(C)(C)C.
What is the InChIKey of 2,3,4,4-tetramethyl-2-(2-methylpropyl)pentanoyl chloride?
The InChIKey is WUOZHKOLNQDPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClO/c1-9(2)8-13(7,11(14)15)10(3)12(4,5)6/h9-10H,8H2,1-7H3.
What are the key properties of 2,3,4,4-tetramethyl-2-(2-methylpropyl)pentanoyl chloride?
2,3,4,4-tetramethyl-2-(2-methylpropyl)pentanoyl chloride has a molecular weight of 232.79 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4-tetramethyl-2-(2-methylpropyl)pentanoyl chloride is sourced from PubChem (CID 139794632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).