2-ethyl-2-(3-methylbutyl)propanedioyl dichloride

C10H16Cl2O2 — CID 22147568

IUPAC2-ethyl-2-(3-methylbutyl)propanedioyl dichloride
SMILESCCC(CCC(C)C)(C(=O)Cl)C(=O)Cl
InChIInChI=1S/C10H16Cl2O2/c1-4-10(8(11)13,9(12)14)6-5-7(2)3/h7H,4-6H2,1-3H3
InChIKeyQTVWBUVFKCOLLJ-UHFFFAOYSA-N
MW239.14 g/mol
LogP3.35
Rot. Bonds6

About 2-ethyl-2-(3-methylbutyl)propanedioyl dichloride

2-ethyl-2-(3-methylbutyl)propanedioyl dichloride (PubChem CID 22147568) has the molecular formula C10H16Cl2O2 and a molecular weight of 239.14 g/mol. Its IUPAC name is 2-ethyl-2-(3-methylbutyl)propanedioyl dichloride.

Molecular Properties

Compound Name2-ethyl-2-(3-methylbutyl)propanedioyl dichloride
PubChem CID22147568
Molecular FormulaC10H16Cl2O2
Molecular Weight239.14 g/mol
Exact Mass238.05
IUPAC Name2-ethyl-2-(3-methylbutyl)propanedioyl dichloride
SMILESCCC(CCC(C)C)(C(=O)Cl)C(=O)Cl
InChIInChI=1S/C10H16Cl2O2/c1-4-10(8(11)13,9(12)14)6-5-7(2)3/h7H,4-6H2,1-3H3
InChIKeyQTVWBUVFKCOLLJ-UHFFFAOYSA-N
XLogP3.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane
CID 173040977
dimethyl 2-(3-methylbutyl)-2-(4-methylpentyl)propanedioate
CID 139692191
heptan-4-yl 2-carbonochloridoyl-2-ethylbutanoate
CID 91723636
4-fluoro-4,7-dimethyloctan-3-one
CID 176990055
cobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate)
CID 22833328
2-ethoxycarbonyl-2-ethyl-6-methylheptanoic acid
CID 103974556
ethyl 2-(hydroxycarbamoyl)-5-methyl-2-(3-methylbutyl)hexanoate
CID 139661267
2,2-difluorobutanoyl chloride
CID 105428401
3,3,6-trimethylheptan-2-one
CID 55274452
2-butyl-2-ethyl-5-methylhexanoic acid
CID 63402909
5-ethyl-2,8-dimethyl-5-propan-2-ylnonane
CID 123397627
bis(2-methylpropyl) 2-hexyl-2-(3-methylbutyl)propanedioate
CID 141386018

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-methylbutyl)propanedioyl dichloride?
The IUPAC name of 2-ethyl-2-(3-methylbutyl)propanedioyl dichloride (CID 22147568) is 2-ethyl-2-(3-methylbutyl)propanedioyl dichloride.
What is the SMILES notation for 2-ethyl-2-(3-methylbutyl)propanedioyl dichloride?
The canonical SMILES for 2-ethyl-2-(3-methylbutyl)propanedioyl dichloride is CCC(CCC(C)C)(C(=O)Cl)C(=O)Cl.
What is the InChIKey of 2-ethyl-2-(3-methylbutyl)propanedioyl dichloride?
The InChIKey is QTVWBUVFKCOLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2O2/c1-4-10(8(11)13,9(12)14)6-5-7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-2-(3-methylbutyl)propanedioyl dichloride?
2-ethyl-2-(3-methylbutyl)propanedioyl dichloride has a molecular weight of 239.14 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-methylbutyl)propanedioyl dichloride is sourced from PubChem (CID 22147568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).