2,2,3,3-tetrachlorodecanoic acid

C10H16Cl4O2 — CID 91357107

IUPAC2,2,3,3-tetrachlorodecanoic acid
SMILESCCCCCCCC(Cl)(Cl)C(Cl)(Cl)C(=O)O
InChIInChI=1S/C10H16Cl4O2/c1-2-3-4-5-6-7-9(11,12)10(13,14)8(15)16/h2-7H2,1H3,(H,15,16)
InChIKeyQMHVPCORYVUUBD-UHFFFAOYSA-N
MW310.05 g/mol
LogP4.78
Rot. Bonds8

About 2,2,3,3-tetrachlorodecanoic acid

2,2,3,3-tetrachlorodecanoic acid (PubChem CID 91357107) has the molecular formula C10H16Cl4O2 and a molecular weight of 310.05 g/mol. Its IUPAC name is 2,2,3,3-tetrachlorodecanoic acid.

Molecular Properties

Compound Name2,2,3,3-tetrachlorodecanoic acid
PubChem CID91357107
Molecular FormulaC10H16Cl4O2
Molecular Weight310.05 g/mol
Exact Mass307.99
IUPAC Name2,2,3,3-tetrachlorodecanoic acid
SMILESCCCCCCCC(Cl)(Cl)C(Cl)(Cl)C(=O)O
InChIInChI=1S/C10H16Cl4O2/c1-2-3-4-5-6-7-9(11,12)10(13,14)8(15)16/h2-7H2,1H3,(H,15,16)
InChIKeyQMHVPCORYVUUBD-UHFFFAOYSA-N
XLogP4.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.05
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrachlorohexanoic acid
CID 101280297
dilithium bis(2,2,3,3-tetrachlorodecanoate)
CID 139933236
2-chloro-2-decylpropanedioic acid
CID 4986950
2-bromo-2-chlorooctadecanoic acid
CID 154381060
2-chloro-2-methylheptanoic acid
CID 154037694
2-dodecyl-2-octyltetradecanoic acid
CID 24889792
2,2-dihexyldecanoic acid
CID 57072933
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
2,9-dihexyl-2,9-dioctyldecanedioic acid
CID 172763339
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
octadecane-1,1,1-tricarboxylic acid
CID 57231234
triacontane-1,1,1-tricarboxylic acid
CID 141175641

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrachlorodecanoic acid?
The IUPAC name of 2,2,3,3-tetrachlorodecanoic acid (CID 91357107) is 2,2,3,3-tetrachlorodecanoic acid.
What is the SMILES notation for 2,2,3,3-tetrachlorodecanoic acid?
The canonical SMILES for 2,2,3,3-tetrachlorodecanoic acid is CCCCCCCC(Cl)(Cl)C(Cl)(Cl)C(=O)O.
What is the InChIKey of 2,2,3,3-tetrachlorodecanoic acid?
The InChIKey is QMHVPCORYVUUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl4O2/c1-2-3-4-5-6-7-9(11,12)10(13,14)8(15)16/h2-7H2,1H3,(H,15,16).
What are the key properties of 2,2,3,3-tetrachlorodecanoic acid?
2,2,3,3-tetrachlorodecanoic acid has a molecular weight of 310.05 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrachlorodecanoic acid is sourced from PubChem (CID 91357107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).