4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid

C14H26O7 — CID 118136972

IUPAC4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
SMILESCC[C@@H](C)OCCOCCOCCOC(=O)CCC(=O)O
InChIInChI=1S/C14H26O7/c1-3-12(2)20-10-8-18-6-7-19-9-11-21-14(17)5-4-13(15)16/h12H,3-11H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyYDTFCTQXMHCSEQ-GFCCVEGCSA-N
MW306.36 g/mol
LogP1.24
Rot. Bonds14

About 4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid

4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid (PubChem CID 118136972) has the molecular formula C14H26O7 and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
PubChem CID118136972
Molecular FormulaC14H26O7
Molecular Weight306.36 g/mol
Exact Mass306.17
IUPAC Name4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
SMILESCC[C@@H](C)OCCOCCOCCOC(=O)CCC(=O)O
InChIInChI=1S/C14H26O7/c1-3-12(2)20-10-8-18-6-7-19-9-11-21-14(17)5-4-13(15)16/h12H,3-11H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyYDTFCTQXMHCSEQ-GFCCVEGCSA-N
XLogP1.24
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-butan-2-yloxyethoxy)propanoic acid
CID 59266758
4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid
CID 58559856
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecanoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 162774593
4-oxo-4-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]butanoic acid;2-(2-propanoyloxyethoxy)ethyl propanoate
CID 160907308
2-(2-butan-2-yloxyethoxy)acetic acid
CID 58779511
4-[4-[2-(3-carboxypropanoyloxy)ethoxy]butoxy]-4-oxobutanoic acid
CID 89178356
ethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate
CID 58764423
ethyl 8-(2-butan-2-yloxyethoxy)octanoate
CID 58764416
4-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 21421399
bis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate
CID 122472522
4-[2-(2-methyldecoxy)ethoxy]-4-oxobutanoic acid
CID 157076376
5-[2-[2-[2-[2-(1-hydroxybutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-oxopentanoic acid
CID 91047897

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid?
The IUPAC name of 4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid (CID 118136972) is 4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid is CC[C@@H](C)OCCOCCOCCOC(=O)CCC(=O)O.
What is the InChIKey of 4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid?
The InChIKey is YDTFCTQXMHCSEQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26O7/c1-3-12(2)20-10-8-18-6-7-19-9-11-21-14(17)5-4-13(15)16/h12H,3-11H2,1-2H3,(H,15,16)/t12-/m1/s1.
What are the key properties of 4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid?
4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid has a molecular weight of 306.36 g/mol, XLogP of 1.24, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid is sourced from PubChem (CID 118136972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).