8-chloro-2,2-dimethyloctanoic acid

C10H19ClO2 — CID 88681870

IUPAC8-chloro-2,2-dimethyloctanoic acid
SMILESCC(C)(CCCCCCCl)C(=O)O
InChIInChI=1S/C10H19ClO2/c1-10(2,9(12)13)7-5-3-4-6-8-11/h3-8H2,1-2H3,(H,12,13)
InChIKeySJHCDMKHMIJAIW-UHFFFAOYSA-N
MW206.71 g/mol
LogP3.29
Rot. Bonds7

About 8-chloro-2,2-dimethyloctanoic acid

8-chloro-2,2-dimethyloctanoic acid (PubChem CID 88681870) has the molecular formula C10H19ClO2 and a molecular weight of 206.71 g/mol. Its IUPAC name is 8-chloro-2,2-dimethyloctanoic acid.

Molecular Properties

Compound Name8-chloro-2,2-dimethyloctanoic acid
PubChem CID88681870
Molecular FormulaC10H19ClO2
Molecular Weight206.71 g/mol
Exact Mass206.11
IUPAC Name8-chloro-2,2-dimethyloctanoic acid
SMILESCC(C)(CCCCCCCl)C(=O)O
InChIInChI=1S/C10H19ClO2/c1-10(2,9(12)13)7-5-3-4-6-8-11/h3-8H2,1-2H3,(H,12,13)
InChIKeySJHCDMKHMIJAIW-UHFFFAOYSA-N
XLogP3.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.71
LogP ≤ 53.29
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-dimethyldocosanoic acid
CID 23471202
18-hydroxy-2,2-dimethyloctadecanoic acid
CID 12988628
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792
2,2-dimethylicosanedioic acid
CID 87760954
2,2-dimethyloctanedioic acid
CID 21225473
magnesium;2,2-dimethyloctanoic acid;hydride
CID 173414745
azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide
CID 173063198
azane;5-hydroxy-2,2-dimethylpentanoic acid
CID 172678902
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
2,2-dimethyl-7-oxoheptanoic acid
CID 150937186
2,2-dimethyl-6-oxoheptanoic acid
CID 3083567
7-acetyl-2,2,12,12-tetramethyltridecanedioic acid
CID 59125155

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,2-dimethyloctanoic acid?
The IUPAC name of 8-chloro-2,2-dimethyloctanoic acid (CID 88681870) is 8-chloro-2,2-dimethyloctanoic acid.
What is the SMILES notation for 8-chloro-2,2-dimethyloctanoic acid?
The canonical SMILES for 8-chloro-2,2-dimethyloctanoic acid is CC(C)(CCCCCCCl)C(=O)O.
What is the InChIKey of 8-chloro-2,2-dimethyloctanoic acid?
The InChIKey is SJHCDMKHMIJAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO2/c1-10(2,9(12)13)7-5-3-4-6-8-11/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 8-chloro-2,2-dimethyloctanoic acid?
8-chloro-2,2-dimethyloctanoic acid has a molecular weight of 206.71 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,2-dimethyloctanoic acid is sourced from PubChem (CID 88681870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).