3,3-dimethyl-2-propylpentanedioyl dichloride

C10H16Cl2O2 — CID 141151343

IUPAC3,3-dimethyl-2-propylpentanedioyl dichloride
SMILESCCCC(C(=O)Cl)C(C)(C)CC(=O)Cl
InChIInChI=1S/C10H16Cl2O2/c1-4-5-7(9(12)14)10(2,3)6-8(11)13/h7H,4-6H2,1-3H3
InChIKeyKGCRTRIVNGRMSC-UHFFFAOYSA-N
MW239.14 g/mol
LogP3.35
Rot. Bonds6

About 3,3-dimethyl-2-propylpentanedioyl dichloride

3,3-dimethyl-2-propylpentanedioyl dichloride (PubChem CID 141151343) has the molecular formula C10H16Cl2O2 and a molecular weight of 239.14 g/mol. Its IUPAC name is 3,3-dimethyl-2-propylpentanedioyl dichloride.

Molecular Properties

Compound Name3,3-dimethyl-2-propylpentanedioyl dichloride
PubChem CID141151343
Molecular FormulaC10H16Cl2O2
Molecular Weight239.14 g/mol
Exact Mass238.05
IUPAC Name3,3-dimethyl-2-propylpentanedioyl dichloride
SMILESCCCC(C(=O)Cl)C(C)(C)CC(=O)Cl
InChIInChI=1S/C10H16Cl2O2/c1-4-5-7(9(12)14)10(2,3)6-8(11)13/h7H,4-6H2,1-3H3
InChIKeyKGCRTRIVNGRMSC-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'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-propylpentanedioyl dichloride?
The IUPAC name of 3,3-dimethyl-2-propylpentanedioyl dichloride (CID 141151343) is 3,3-dimethyl-2-propylpentanedioyl dichloride.
What is the SMILES notation for 3,3-dimethyl-2-propylpentanedioyl dichloride?
The canonical SMILES for 3,3-dimethyl-2-propylpentanedioyl dichloride is CCCC(C(=O)Cl)C(C)(C)CC(=O)Cl.
What is the InChIKey of 3,3-dimethyl-2-propylpentanedioyl dichloride?
The InChIKey is KGCRTRIVNGRMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2O2/c1-4-5-7(9(12)14)10(2,3)6-8(11)13/h7H,4-6H2,1-3H3.
What are the key properties of 3,3-dimethyl-2-propylpentanedioyl dichloride?
3,3-dimethyl-2-propylpentanedioyl 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 3,3-dimethyl-2-propylpentanedioyl dichloride is sourced from PubChem (CID 141151343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).