2-chloro-2-propylpentanoyl chloride

C8H14Cl2O — CID 14643541

IUPAC2-chloro-2-propylpentanoyl chloride
SMILESCCCC(Cl)(CCC)C(=O)Cl
InChIInChI=1S/C8H14Cl2O/c1-3-5-8(10,6-4-2)7(9)11/h3-6H2,1-2H3
InChIKeyRAZSNPXWMFVYEW-UHFFFAOYSA-N
MW197.10 g/mol
LogP3.33
Rot. Bonds5

About 2-chloro-2-propylpentanoyl chloride

2-chloro-2-propylpentanoyl chloride (PubChem CID 14643541) has the molecular formula C8H14Cl2O and a molecular weight of 197.10 g/mol. Its IUPAC name is 2-chloro-2-propylpentanoyl chloride.

Molecular Properties

Compound Name2-chloro-2-propylpentanoyl chloride
PubChem CID14643541
Molecular FormulaC8H14Cl2O
Molecular Weight197.10 g/mol
Exact Mass196.04
IUPAC Name2-chloro-2-propylpentanoyl chloride
SMILESCCCC(Cl)(CCC)C(=O)Cl
InChIInChI=1S/C8H14Cl2O/c1-3-5-8(10,6-4-2)7(9)11/h3-6H2,1-2H3
InChIKeyRAZSNPXWMFVYEW-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.10
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichlorohexanoyl chloride
CID 20509297
2,2,3,3-tetrachlorohexanoic acid
CID 101280297
5,5-dichlorooctan-4-one
CID 10987199
1-methylethane-1,1,2-tricarbonyl chloride
CID 140524572
2-butyl-2-chlorohexanoic acid
CID 178066863
2,2-difluorobutanoyl chloride
CID 105428401
2-bromo-2-butyloctanoyl chloride
CID 178066892
potassium;3,3-dimethylhexanoyl chloride;hydroxide
CID 143631773
2,2-dimethyldodecanoyl chloride
CID 15656432
azane;2,2,2-trichloroacetyl chloride
CID 174960688
2,2-dibromooctadecanoyl chloride
CID 18469463
2-chloro-2-ethylheptanoic acid
CID 178066916

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-propylpentanoyl chloride?
The IUPAC name of 2-chloro-2-propylpentanoyl chloride (CID 14643541) is 2-chloro-2-propylpentanoyl chloride.
What is the SMILES notation for 2-chloro-2-propylpentanoyl chloride?
The canonical SMILES for 2-chloro-2-propylpentanoyl chloride is CCCC(Cl)(CCC)C(=O)Cl.
What is the InChIKey of 2-chloro-2-propylpentanoyl chloride?
The InChIKey is RAZSNPXWMFVYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2O/c1-3-5-8(10,6-4-2)7(9)11/h3-6H2,1-2H3.
What are the key properties of 2-chloro-2-propylpentanoyl chloride?
2-chloro-2-propylpentanoyl chloride has a molecular weight of 197.10 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-propylpentanoyl chloride is sourced from PubChem (CID 14643541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).