2-butyl-2-methylhexanoic acid

C11H22O2 — CID 15930803

IUPAC2-butyl-2-methylhexanoic acid
SMILESCCCCC(C)(CCCC)C(=O)O
InChIInChI=1S/C11H22O2/c1-4-6-8-11(3,10(12)13)9-7-5-2/h4-9H2,1-3H3,(H,12,13)
InChIKeyHMGUFCJWPWYVDF-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.46
Rot. Bonds7

About 2-butyl-2-methylhexanoic acid

2-butyl-2-methylhexanoic acid (PubChem CID 15930803) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-butyl-2-methylhexanoic acid.

Molecular Properties

Compound Name2-butyl-2-methylhexanoic acid
PubChem CID15930803
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-butyl-2-methylhexanoic acid
SMILESCCCCC(C)(CCCC)C(=O)O
InChIInChI=1S/C11H22O2/c1-4-6-8-11(3,10(12)13)9-7-5-2/h4-9H2,1-3H3,(H,12,13)
InChIKeyHMGUFCJWPWYVDF-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-hexyl-2-methyldecanoic acid
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azanium;2-butyl-2-methylhexadecanoic acid;chloride
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2-methyl-2-[2-(sulfinoamino)ethyl]hexanoic acid
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6-hydroxy-2-methyl-2-propylhexanoic acid
CID 79426423
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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-methylhexanoic acid?
The IUPAC name of 2-butyl-2-methylhexanoic acid (CID 15930803) is 2-butyl-2-methylhexanoic acid.
What is the SMILES notation for 2-butyl-2-methylhexanoic acid?
The canonical SMILES for 2-butyl-2-methylhexanoic acid is CCCCC(C)(CCCC)C(=O)O.
What is the InChIKey of 2-butyl-2-methylhexanoic acid?
The InChIKey is HMGUFCJWPWYVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-6-8-11(3,10(12)13)9-7-5-2/h4-9H2,1-3H3,(H,12,13).
What are the key properties of 2-butyl-2-methylhexanoic acid?
2-butyl-2-methylhexanoic acid has a molecular weight of 186.29 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-methylhexanoic acid is sourced from PubChem (CID 15930803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).