8-[3-[[3-[(3-ethylcyclobutyl)methyl]cyclobutyl]methyl]cyclobutyl]octanoic acid

C24H42O2 — CID 58249014

IUPAC8-[3-[[3-[(3-ethylcyclobutyl)methyl]cyclobutyl]methyl]cyclobutyl]octanoic acid
SMILESCCC1CC(CC2CC(CC3CC(CCCCCCCC(=O)O)C3)C2)C1
InChIInChI=1S/C24H42O2/c1-2-18-10-20(11-18)14-22-16-23(17-22)15-21-12-19(13-21)8-6-4-3-5-7-9-24(25)26/h18-23H,2-17H2,1H3,(H,25,26)
InChIKeyZKQBUROWXDIUBI-UHFFFAOYSA-N
MW362.60 g/mol
LogP7.07
Rot. Bonds13

About 8-[3-[[3-[(3-ethylcyclobutyl)methyl]cyclobutyl]methyl]cyclobutyl]octanoic acid

8-[3-[[3-[(3-ethylcyclobutyl)methyl]cyclobutyl]methyl]cyclobutyl]octanoic acid (PubChem CID 58249014) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 8-[3-[[3-[(3-ethylcyclobutyl)methyl]cyclobutyl]methyl]cyclobutyl]octanoic acid.

Molecular Properties

Compound Name8-[3-[[3-[(3-ethylcyclobutyl)methyl]cyclobutyl]methyl]cyclobutyl]octanoic acid
PubChem CID58249014
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name8-[3-[[3-[(3-ethylcyclobutyl)methyl]cyclobutyl]methyl]cyclobutyl]octanoic acid
SMILESCCC1CC(CC2CC(CC3CC(CCCCCCCC(=O)O)C3)C2)C1
InChIInChI=1S/C24H42O2/c1-2-18-10-20(11-18)14-22-16-23(17-22)15-21-12-19(13-21)8-6-4-3-5-7-9-24(25)26/h18-23H,2-17H2,1H3,(H,25,26)
InChIKeyZKQBUROWXDIUBI-UHFFFAOYSA-N
XLogP7.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-[3-[[3-[(3-ethylcyclobutyl)methyl]cyclobutyl]methyl]cyclobutyl]octanoic acid with MolForge

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Related Compounds

8-cyclobutyloctanoic acid
CID 72551210
8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320
10-(2-butylcyclopropyl)decanoic acid
CID 71374776
7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
8-cyclopent-3-en-1-yloctanoic acid
CID 177256407
16-[4-(aminomethyl)cyclohexyl]hexadecanoic acid
CID 67111658
18-[(2R,3S)-3-ethyloxiran-2-yl]octadecanoic acid
CID 118711037
17-[(2S,3R)-3-ethyloxiran-2-yl]heptadecanoic acid
CID 118711036
5-(1-ethylpiperidin-4-yl)pentanoic acid
CID 165463146

Frequently Asked Questions

What is the IUPAC name of 8-[3-[[3-[(3-ethylcyclobutyl)methyl]cyclobutyl]methyl]cyclobutyl]octanoic acid?
The IUPAC name of 8-[3-[[3-[(3-ethylcyclobutyl)methyl]cyclobutyl]methyl]cyclobutyl]octanoic acid (CID 58249014) is 8-[3-[[3-[(3-ethylcyclobutyl)methyl]cyclobutyl]methyl]cyclobutyl]octanoic acid.
What is the SMILES notation for 8-[3-[[3-[(3-ethylcyclobutyl)methyl]cyclobutyl]methyl]cyclobutyl]octanoic acid?
The canonical SMILES for 8-[3-[[3-[(3-ethylcyclobutyl)methyl]cyclobutyl]methyl]cyclobutyl]octanoic acid is CCC1CC(CC2CC(CC3CC(CCCCCCCC(=O)O)C3)C2)C1.
What is the InChIKey of 8-[3-[[3-[(3-ethylcyclobutyl)methyl]cyclobutyl]methyl]cyclobutyl]octanoic acid?
The InChIKey is ZKQBUROWXDIUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-2-18-10-20(11-18)14-22-16-23(17-22)15-21-12-19(13-21)8-6-4-3-5-7-9-24(25)26/h18-23H,2-17H2,1H3,(H,25,26).
What are the key properties of 8-[3-[[3-[(3-ethylcyclobutyl)methyl]cyclobutyl]methyl]cyclobutyl]octanoic acid?
8-[3-[[3-[(3-ethylcyclobutyl)methyl]cyclobutyl]methyl]cyclobutyl]octanoic acid has a molecular weight of 362.60 g/mol, XLogP of 7.07, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[[3-[(3-ethylcyclobutyl)methyl]cyclobutyl]methyl]cyclobutyl]octanoic acid is sourced from PubChem (CID 58249014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).