2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid

C17H32O9 — CID 175405425

IUPAC2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid
SMILESCC(C)COCCOCCOCCOCCOCCC(C(=O)O)C(=O)O
InChIInChI=1S/C17H32O9/c1-14(2)13-26-12-11-25-10-9-24-8-7-23-6-5-22-4-3-15(16(18)19)17(20)21/h14-15H,3-13H2,1-2H3,(H,18,19)(H,20,21)
InChIKeySWBIZRNLVRJHKZ-UHFFFAOYSA-N
MW380.43 g/mol
LogP0.90
Rot. Bonds19

About 2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid

2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid (PubChem CID 175405425) has the molecular formula C17H32O9 and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid
PubChem CID175405425
Molecular FormulaC17H32O9
Molecular Weight380.43 g/mol
Exact Mass380.20
IUPAC Name2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid
SMILESCC(C)COCCOCCOCCOCCOCCC(C(=O)O)C(=O)O
InChIInChI=1S/C17H32O9/c1-14(2)13-26-12-11-25-10-9-24-8-7-23-6-5-22-4-3-15(16(18)19)17(20)21/h14-15H,3-13H2,1-2H3,(H,18,19)(H,20,21)
InChIKeySWBIZRNLVRJHKZ-UHFFFAOYSA-N
XLogP0.90
TPSA120.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106448971
(2S)-2-amino-4-(2-methylpropoxy)butanoic acid
CID 103942646
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid
CID 87457805
2-ethoxy-4-(2-methylpropoxy)butanoic acid
CID 63074828
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428226
2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106446603
3-(2-methylpropoxy)propanoic acid
CID 15033462
4-amino-2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106450669
3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propanoic acid
CID 106450369
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethanol
CID 87459914

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid?
The IUPAC name of 2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid (CID 175405425) is 2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid is CC(C)COCCOCCOCCOCCOCCC(C(=O)O)C(=O)O.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid?
The InChIKey is SWBIZRNLVRJHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O9/c1-14(2)13-26-12-11-25-10-9-24-8-7-23-6-5-22-4-3-15(16(18)19)17(20)21/h14-15H,3-13H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid?
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid has a molecular weight of 380.43 g/mol, XLogP of 0.90, 19 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid is sourced from PubChem (CID 175405425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).