2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid

C15H28O7 — CID 89073210

IUPAC2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid
SMILESCOC(C)(C)CCOC(C)(C)CCOC(=O)COCC(=O)O
InChIInChI=1S/C15H28O7/c1-14(2,19-5)7-9-22-15(3,4)6-8-21-13(18)11-20-10-12(16)17/h6-11H2,1-5H3,(H,16,17)
InChIKeySUUYLRBZXHPVKB-UHFFFAOYSA-N
MW320.38 g/mol
LogP1.63
Rot. Bonds12

About 2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid

2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid (PubChem CID 89073210) has the molecular formula C15H28O7 and a molecular weight of 320.38 g/mol. Its IUPAC name is 2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid
PubChem CID89073210
Molecular FormulaC15H28O7
Molecular Weight320.38 g/mol
Exact Mass320.18
IUPAC Name2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid
SMILESCOC(C)(C)CCOC(C)(C)CCOC(=O)COCC(=O)O
InChIInChI=1S/C15H28O7/c1-14(2,19-5)7-9-22-15(3,4)6-8-21-13(18)11-20-10-12(16)17/h6-11H2,1-5H3,(H,16,17)
InChIKeySUUYLRBZXHPVKB-UHFFFAOYSA-N
XLogP1.63
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid (CID 89073210) is 2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid is COC(C)(C)CCOC(C)(C)CCOC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid?
The InChIKey is SUUYLRBZXHPVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O7/c1-14(2,19-5)7-9-22-15(3,4)6-8-21-13(18)11-20-10-12(16)17/h6-11H2,1-5H3,(H,16,17).
What are the key properties of 2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid?
2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid has a molecular weight of 320.38 g/mol, XLogP of 1.63, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 89073210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).