2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid

C14H28O3 — CID 106714417

IUPAC2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid
SMILESCCCC(C)COCCCCC(C)(C)C(=O)O
InChIInChI=1S/C14H28O3/c1-5-8-12(2)11-17-10-7-6-9-14(3,4)13(15)16/h12H,5-11H2,1-4H3,(H,15,16)
InChIKeyOWUICYVALKVNRQ-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.72
Rot. Bonds10

About 2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid

2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid (PubChem CID 106714417) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid
PubChem CID106714417
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid
SMILESCCCC(C)COCCCCC(C)(C)C(=O)O
InChIInChI=1S/C14H28O3/c1-5-8-12(2)11-17-10-7-6-9-14(3,4)13(15)16/h12H,5-11H2,1-4H3,(H,15,16)
InChIKeyOWUICYVALKVNRQ-UHFFFAOYSA-N
XLogP3.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid
CID 106714392
2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid
CID 106714362
2-methyl-2-(methylamino)-6-(2-methylpentoxy)hexan-1-ol
CID 103286070
2-methyl-2-(methylamino)-5-(2-methylpentoxy)pentanamide
CID 103284845
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol
CID 103286053
2-(ethylamino)-2-methyl-5-(2-methylpentoxy)pentanamide
CID 103284877
6-(5,5-dimethyl-6-oxidohept-6-enoxy)-2,2,5-trimethylhexanoate
CID 167615022
2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid
CID 106714396
calcium;6-(5-carboxy-5-methylhexoxy)-2,2-dimethylhexanoate;methane
CID 158008007
2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile
CID 103284800
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile
CID 103284790
2,2-dimethyldocosanoic acid
CID 23471202

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid?
The IUPAC name of 2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid (CID 106714417) is 2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid.
What is the SMILES notation for 2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid?
The canonical SMILES for 2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid is CCCC(C)COCCCCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid?
The InChIKey is OWUICYVALKVNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-5-8-12(2)11-17-10-7-6-9-14(3,4)13(15)16/h12H,5-11H2,1-4H3,(H,15,16).
What are the key properties of 2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid?
2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid has a molecular weight of 244.37 g/mol, XLogP of 3.72, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid is sourced from PubChem (CID 106714417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).