2,2-dimethylhexanoic acid;hydrochloride

C8H17ClO2 — CID 87873074

IUPAC2,2-dimethylhexanoic acid;hydrochloride
SMILESCCCCC(C)(C)C(=O)O.Cl
InChIInChI=1S/C8H16O2.ClH/c1-4-5-6-8(2,3)7(9)10;/h4-6H2,1-3H3,(H,9,10);1H
InChIKeySBHOEILAAFJMQG-UHFFFAOYSA-N
MW180.67 g/mol
LogP2.71
Rot. Bonds4

About 2,2-dimethylhexanoic acid;hydrochloride

2,2-dimethylhexanoic acid;hydrochloride (PubChem CID 87873074) has the molecular formula C8H17ClO2 and a molecular weight of 180.67 g/mol. Its IUPAC name is 2,2-dimethylhexanoic acid;hydrochloride.

Molecular Properties

Compound Name2,2-dimethylhexanoic acid;hydrochloride
PubChem CID87873074
Molecular FormulaC8H17ClO2
Molecular Weight180.67 g/mol
Exact Mass180.09
IUPAC Name2,2-dimethylhexanoic acid;hydrochloride
SMILESCCCCC(C)(C)C(=O)O.Cl
InChIInChI=1S/C8H16O2.ClH/c1-4-5-6-8(2,3)7(9)10;/h4-6H2,1-3H3,(H,9,10);1H
InChIKeySBHOEILAAFJMQG-UHFFFAOYSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.67
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyldocosanoic acid
CID 23471202
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792
magnesium;2,2-dimethyloctanoic acid;hydride
CID 173414745
azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide
CID 173063198
6,6-dibutyldecylphosphane;2,2-dimethylhexanoic acid
CID 175725227
butyl 2-methylpropanoate;2,2-dimethylhexanoic acid
CID 158280727
2-butyl-2-methylhexanoic acid
CID 15930803
7-hydroxy-2,2-dimethyltridecanoic acid
CID 59660145
azane;5-hydroxy-2,2-dimethylpentanoic acid
CID 172678902
7-methoxy-2,2-dimethylundecanoic acid
CID 88582161
4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid
CID 104565005
pentane-1,1,1-tricarboxylic acid
CID 19386814

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylhexanoic acid;hydrochloride?
The IUPAC name of 2,2-dimethylhexanoic acid;hydrochloride (CID 87873074) is 2,2-dimethylhexanoic acid;hydrochloride.
What is the SMILES notation for 2,2-dimethylhexanoic acid;hydrochloride?
The canonical SMILES for 2,2-dimethylhexanoic acid;hydrochloride is CCCCC(C)(C)C(=O)O.Cl.
What is the InChIKey of 2,2-dimethylhexanoic acid;hydrochloride?
The InChIKey is SBHOEILAAFJMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.ClH/c1-4-5-6-8(2,3)7(9)10;/h4-6H2,1-3H3,(H,9,10);1H.
What are the key properties of 2,2-dimethylhexanoic acid;hydrochloride?
2,2-dimethylhexanoic acid;hydrochloride has a molecular weight of 180.67 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylhexanoic acid;hydrochloride is sourced from PubChem (CID 87873074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).