2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid

C24H46O6 — CID 160562637

IUPAC2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid
SMILESCCCCCCCCOCCOCCOCCOCCC(C(=O)O)C1CCCCC1
InChIInChI=1S/C24H46O6/c1-2-3-4-5-6-10-14-27-16-18-29-20-21-30-19-17-28-15-13-23(24(25)26)22-11-8-7-9-12-22/h22-23H,2-21H2,1H3,(H,25,26)
InChIKeyQZNCEMHRDVOKIB-UHFFFAOYSA-N
MW430.63 g/mol
LogP5.08
Rot. Bonds21

About 2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid

2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid (PubChem CID 160562637) has the molecular formula C24H46O6 and a molecular weight of 430.63 g/mol. Its IUPAC name is 2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid.

Molecular Properties

Compound Name2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid
PubChem CID160562637
Molecular FormulaC24H46O6
Molecular Weight430.63 g/mol
Exact Mass430.33
IUPAC Name2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid
SMILESCCCCCCCCOCCOCCOCCOCCC(C(=O)O)C1CCCCC1
InChIInChI=1S/C24H46O6/c1-2-3-4-5-6-10-14-27-16-18-29-20-21-30-19-17-28-15-13-23(24(25)26)22-11-8-7-9-12-22/h22-23H,2-21H2,1H3,(H,25,26)
InChIKeyQZNCEMHRDVOKIB-UHFFFAOYSA-N
XLogP5.08
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.63
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyldecanoic acid
CID 19004831
2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 113427269
2-cyclopentyltridecanoic acid
CID 22665117
2-cyclopentyl-4-(3-methylbutoxy)butanoic acid
CID 112569302
(2S)-2-cyclobutylheptanoic acid
CID 99988049
2-cyclobutylhexanoic acid
CID 102568246
2-cyclopropylnonanoic acid
CID 139682006
2-cyclopropylhexadecanoic acid
CID 67041212
2-cyclopentyl-4-(2-methylpropoxy)butanoic acid
CID 106454943
2-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 112590816
2-cycloheptylbutanoic acid
CID 79007061
1,2-dicyclohexylhexadecan-1-one
CID 142760088

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid?
The IUPAC name of 2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid (CID 160562637) is 2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid.
What is the SMILES notation for 2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid?
The canonical SMILES for 2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid is CCCCCCCCOCCOCCOCCOCCC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid?
The InChIKey is QZNCEMHRDVOKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O6/c1-2-3-4-5-6-10-14-27-16-18-29-20-21-30-19-17-28-15-13-23(24(25)26)22-11-8-7-9-12-22/h22-23H,2-21H2,1H3,(H,25,26).
What are the key properties of 2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid?
2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid has a molecular weight of 430.63 g/mol, XLogP of 5.08, 21 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid is sourced from PubChem (CID 160562637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).