4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid

C19H30O7 — CID 58645066

IUPAC4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
SMILESCC(C)(C)OCCOCCOCCOCCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H30O7/c1-19(2,3)26-15-13-24-11-9-22-8-10-23-12-14-25-17-6-4-16(5-7-17)18(20)21/h4-7H,8-15H2,1-3H3,(H,20,21)
InChIKeyNCWODKLXQFIFEJ-UHFFFAOYSA-N
MW370.44 g/mol
LogP2.63
Rot. Bonds14

About 4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid

4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid (PubChem CID 58645066) has the molecular formula C19H30O7 and a molecular weight of 370.44 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
PubChem CID58645066
Molecular FormulaC19H30O7
Molecular Weight370.44 g/mol
Exact Mass370.20
IUPAC Name4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
SMILESCC(C)(C)OCCOCCOCCOCCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H30O7/c1-19(2,3)26-15-13-24-11-9-22-8-10-23-12-14-25-17-6-4-16(5-7-17)18(20)21/h4-7H,8-15H2,1-3H3,(H,20,21)
InChIKeyNCWODKLXQFIFEJ-UHFFFAOYSA-N
XLogP2.63
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.63
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

4-[3-[(2-methylpropan-2-yl)oxy]propoxy]benzoic acid
CID 55179745
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
CID 112687603
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-one
CID 112687937
4-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]benzoic acid
CID 103175922
4-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 20984535
4-[2-(4,4,4-trifluorobutoxy)ethoxy]benzoic acid
CID 82788697
2,4-bis[2-[2-(4-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 86193789
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261
4-[2-(4-aminophenoxy)ethoxy]benzoic acid
CID 82147710
4-[2-(2,2,3,3-tetrafluoropropoxy)ethoxy]benzoic acid
CID 43532345
2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acid
CID 151837397

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid?
The IUPAC name of 4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid (CID 58645066) is 4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid?
The canonical SMILES for 4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid is CC(C)(C)OCCOCCOCCOCCOc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid?
The InChIKey is NCWODKLXQFIFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O7/c1-19(2,3)26-15-13-24-11-9-22-8-10-23-12-14-25-17-6-4-16(5-7-17)18(20)21/h4-7H,8-15H2,1-3H3,(H,20,21).
What are the key properties of 4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid?
4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid has a molecular weight of 370.44 g/mol, XLogP of 2.63, 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-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid is sourced from PubChem (CID 58645066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).