2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid

C16H32O5 — CID 104565073

IUPAC2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid
SMILESCCCCOCCOCCOCCC(C)(C(=O)O)C(C)C
InChIInChI=1S/C16H32O5/c1-5-6-8-19-10-12-21-13-11-20-9-7-16(4,14(2)3)15(17)18/h14H,5-13H2,1-4H3,(H,17,18)
InChIKeyOUDFPBNBXMYDRX-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.97
Rot. Bonds14

About 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid

2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid (PubChem CID 104565073) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid
PubChem CID104565073
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid
SMILESCCCCOCCOCCOCCC(C)(C(=O)O)C(C)C
InChIInChI=1S/C16H32O5/c1-5-6-8-19-10-12-21-13-11-20-9-7-16(4,14(2)3)15(17)18/h14H,5-13H2,1-4H3,(H,17,18)
InChIKeyOUDFPBNBXMYDRX-UHFFFAOYSA-N
XLogP2.97
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.97
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-(3-methoxypropoxy)ethyl]-2,3-dimethylbutanoic acid
CID 103181524
4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid
CID 104565005
2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid
CID 106487235
2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid
CID 112590814
4-[2-(2-butoxyethoxy)ethoxy]-2-cyclopropyl-2-methylbutanoic acid
CID 104565072
2-methyl-4-oxo-2-propan-2-yl-4-(3-propoxypropylamino)butanoic acid
CID 82940325
1,6-bis(2-butoxyethoxy)-3,4-bis[2-(2-butoxyethoxy)ethyl]hexane-3,4-diol
CID 157473133
tert-butyl 2-(2-butoxyethoxy)propanoate
CID 66337185
acetic acid;1-butoxybutane
CID 22256220
3-(2-butoxyethoxy)-2-methylpropanoic acid
CID 43537971
2-(2-butoxyethoxy)-2,3-dimethylbutane
CID 175016826
6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid
CID 83148671

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid?
The IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid (CID 104565073) is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid?
The canonical SMILES for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid is CCCCOCCOCCOCCC(C)(C(=O)O)C(C)C.
What is the InChIKey of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid?
The InChIKey is OUDFPBNBXMYDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5/c1-5-6-8-19-10-12-21-13-11-20-9-7-16(4,14(2)3)15(17)18/h14H,5-13H2,1-4H3,(H,17,18).
What are the key properties of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid?
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid has a molecular weight of 304.43 g/mol, XLogP of 2.97, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid is sourced from PubChem (CID 104565073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).