4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid

C14H28O5 — CID 104565005

IUPAC4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid
SMILESCCCCOCCOCCOCCC(C)(C)C(=O)O
InChIInChI=1S/C14H28O5/c1-4-5-7-17-9-11-19-12-10-18-8-6-14(2,3)13(15)16/h4-12H2,1-3H3,(H,15,16)
InChIKeyVMJPJYUYPPBFJC-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.34
Rot. Bonds13

About 4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid

4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid (PubChem CID 104565005) has the molecular formula C14H28O5 and a molecular weight of 276.37 g/mol. Its IUPAC name is 4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid
PubChem CID104565005
Molecular FormulaC14H28O5
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Name4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid
SMILESCCCCOCCOCCOCCC(C)(C)C(=O)O
InChIInChI=1S/C14H28O5/c1-4-5-7-17-9-11-19-12-10-18-8-6-14(2,3)13(15)16/h4-12H2,1-3H3,(H,15,16)
InChIKeyVMJPJYUYPPBFJC-UHFFFAOYSA-N
XLogP2.34
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid
CID 106714362
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid
CID 104565073
2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid
CID 106487235
3-hexoxy-2,2-dimethylpropanoic acid
CID 79622011
4-[2-(2-butoxyethoxy)ethoxy]-2-cyclopropyl-2-methylbutanoic acid
CID 104565072
1,6-bis(2-butoxyethoxy)-3,4-bis[2-(2-butoxyethoxy)ethyl]hexane-3,4-diol
CID 157473133
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
5-(3-methoxy-3-methylbutoxy)-2,2-dimethylpentanoic acid
CID 106668336
2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid
CID 106714396
acetic acid;1-butoxybutane
CID 22256220
2,2-dimethyldocosanoic acid
CID 23471202
2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate
CID 89127071

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid?
The IUPAC name of 4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid (CID 104565005) is 4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid is CCCCOCCOCCOCCC(C)(C)C(=O)O.
What is the InChIKey of 4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid?
The InChIKey is VMJPJYUYPPBFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5/c1-4-5-7-17-9-11-19-12-10-18-8-6-14(2,3)13(15)16/h4-12H2,1-3H3,(H,15,16).
What are the key properties of 4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid?
4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid has a molecular weight of 276.37 g/mol, XLogP of 2.34, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid is sourced from PubChem (CID 104565005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).