6,8-dichloro-2-ethyloctanoic acid

C10H18Cl2O2 — CID 52982812

IUPAC6,8-dichloro-2-ethyloctanoic acid
SMILESCCC(CCCC(Cl)CCCl)C(=O)O
InChIInChI=1S/C10H18Cl2O2/c1-2-8(10(13)14)4-3-5-9(12)6-7-11/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyNAJCIIUJFOMGJK-UHFFFAOYSA-N
MW241.16 g/mol
LogP3.50
Rot. Bonds8

About 6,8-dichloro-2-ethyloctanoic acid

6,8-dichloro-2-ethyloctanoic acid (PubChem CID 52982812) has the molecular formula C10H18Cl2O2 and a molecular weight of 241.16 g/mol. Its IUPAC name is 6,8-dichloro-2-ethyloctanoic acid.

Molecular Properties

Compound Name6,8-dichloro-2-ethyloctanoic acid
PubChem CID52982812
Molecular FormulaC10H18Cl2O2
Molecular Weight241.16 g/mol
Exact Mass240.07
IUPAC Name6,8-dichloro-2-ethyloctanoic acid
SMILESCCC(CCCC(Cl)CCCl)C(=O)O
InChIInChI=1S/C10H18Cl2O2/c1-2-8(10(13)14)4-3-5-9(12)6-7-11/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyNAJCIIUJFOMGJK-UHFFFAOYSA-N
XLogP3.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-ethylpentanoic acid
CID 55301111
2-ethyl-6-propylheptanedioic acid
CID 154140899
2-chloroacetic acid;2-ethylhexanoic acid;nickel
CID 174381559
2-ethylhexanoic acid;palladium(2+)
CID 18629949
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;niobium
CID 87060397
copper 2-ethylhexanoic acid
CID 54604905
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
bis(2-ethylhexanoic acid);manganese
CID 173402583
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
barium(2+);2-ethylhexanoic acid;hydride
CID 172997422

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-ethyloctanoic acid?
The IUPAC name of 6,8-dichloro-2-ethyloctanoic acid (CID 52982812) is 6,8-dichloro-2-ethyloctanoic acid.
What is the SMILES notation for 6,8-dichloro-2-ethyloctanoic acid?
The canonical SMILES for 6,8-dichloro-2-ethyloctanoic acid is CCC(CCCC(Cl)CCCl)C(=O)O.
What is the InChIKey of 6,8-dichloro-2-ethyloctanoic acid?
The InChIKey is NAJCIIUJFOMGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Cl2O2/c1-2-8(10(13)14)4-3-5-9(12)6-7-11/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of 6,8-dichloro-2-ethyloctanoic acid?
6,8-dichloro-2-ethyloctanoic acid has a molecular weight of 241.16 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-ethyloctanoic acid is sourced from PubChem (CID 52982812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).