2-ethyloctanedioyl dichloride

C10H16Cl2O2 — CID 21118475

IUPAC2-ethyloctanedioyl dichloride
SMILESCCC(CCCCCC(=O)Cl)C(=O)Cl
InChIInChI=1S/C10H16Cl2O2/c1-2-8(10(12)14)6-4-3-5-7-9(11)13/h8H,2-7H2,1H3
InChIKeyKTLDDJJTQKMYFY-UHFFFAOYSA-N
MW239.14 g/mol
LogP3.49
Rot. Bonds8

About 2-ethyloctanedioyl dichloride

2-ethyloctanedioyl dichloride (PubChem CID 21118475) has the molecular formula C10H16Cl2O2 and a molecular weight of 239.14 g/mol. Its IUPAC name is 2-ethyloctanedioyl dichloride.

Molecular Properties

Compound Name2-ethyloctanedioyl dichloride
PubChem CID21118475
Molecular FormulaC10H16Cl2O2
Molecular Weight239.14 g/mol
Exact Mass238.05
IUPAC Name2-ethyloctanedioyl dichloride
SMILESCCC(CCCCCC(=O)Cl)C(=O)Cl
InChIInChI=1S/C10H16Cl2O2/c1-2-8(10(12)14)6-4-3-5-7-9(11)13/h8H,2-7H2,1H3
InChIKeyKTLDDJJTQKMYFY-UHFFFAOYSA-N
XLogP3.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyloctanedioyl dichloride?
The IUPAC name of 2-ethyloctanedioyl dichloride (CID 21118475) is 2-ethyloctanedioyl dichloride.
What is the SMILES notation for 2-ethyloctanedioyl dichloride?
The canonical SMILES for 2-ethyloctanedioyl dichloride is CCC(CCCCCC(=O)Cl)C(=O)Cl.
What is the InChIKey of 2-ethyloctanedioyl dichloride?
The InChIKey is KTLDDJJTQKMYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2O2/c1-2-8(10(12)14)6-4-3-5-7-9(11)13/h8H,2-7H2,1H3.
What are the key properties of 2-ethyloctanedioyl dichloride?
2-ethyloctanedioyl dichloride has a molecular weight of 239.14 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloctanedioyl dichloride is sourced from PubChem (CID 21118475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).