2-ethyl-2-(2-phenylcyclopropyl)hexanoic acid

C17H24O2 — CID 116516649

IUPAC2-ethyl-2-(2-phenylcyclopropyl)hexanoic acid
SMILESCCCCC(CC)(C(=O)O)C1CC1c1ccccc1
InChIInChI=1S/C17H24O2/c1-3-5-11-17(4-2,16(18)19)15-12-14(15)13-9-7-6-8-10-13/h6-10,14-15H,3-5,11-12H2,1-2H3,(H,18,19)
InChIKeyKUXYZWXIBGVLLC-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.46
Rot. Bonds7

About 2-ethyl-2-(2-phenylcyclopropyl)hexanoic acid

2-ethyl-2-(2-phenylcyclopropyl)hexanoic acid (PubChem CID 116516649) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-ethyl-2-(2-phenylcyclopropyl)hexanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(2-phenylcyclopropyl)hexanoic acid
PubChem CID116516649
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-ethyl-2-(2-phenylcyclopropyl)hexanoic acid
SMILESCCCCC(CC)(C(=O)O)C1CC1c1ccccc1
InChIInChI=1S/C17H24O2/c1-3-5-11-17(4-2,16(18)19)15-12-14(15)13-9-7-6-8-10-13/h6-10,14-15H,3-5,11-12H2,1-2H3,(H,18,19)
InChIKeyKUXYZWXIBGVLLC-UHFFFAOYSA-N
XLogP4.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-2-(2-phenylcyclopropyl)butan-1-ol
CID 116518430
2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol
CID 102315759
[(1S)-2-tert-butylcyclopropyl]benzene
CID 59541250
octyl 2-phenylcyclopropane-1-carboxylate
CID 91709958
2-[2-(4-carboxyoctan-4-yl)phenyl]-2-propylhexanoic acid
CID 158765235
calcium;hydride;2-methyl-2-phenylhexanoic acid
CID 175225013
[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
[(1R,2R)-2-butoxycyclopropyl]benzene
CID 13263839
[(1R,2S)-2-butoxycyclopropyl]benzene
CID 13263840
[(2S)-2-butoxycyclopropyl]benzene
CID 90226086
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
N-ethyl-2-methyl-2-(2-phenylcyclopropyl)butan-1-amine
CID 116518083

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-phenylcyclopropyl)hexanoic acid?
The IUPAC name of 2-ethyl-2-(2-phenylcyclopropyl)hexanoic acid (CID 116516649) is 2-ethyl-2-(2-phenylcyclopropyl)hexanoic acid.
What is the SMILES notation for 2-ethyl-2-(2-phenylcyclopropyl)hexanoic acid?
The canonical SMILES for 2-ethyl-2-(2-phenylcyclopropyl)hexanoic acid is CCCCC(CC)(C(=O)O)C1CC1c1ccccc1.
What is the InChIKey of 2-ethyl-2-(2-phenylcyclopropyl)hexanoic acid?
The InChIKey is KUXYZWXIBGVLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-5-11-17(4-2,16(18)19)15-12-14(15)13-9-7-6-8-10-13/h6-10,14-15H,3-5,11-12H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-2-(2-phenylcyclopropyl)hexanoic acid?
2-ethyl-2-(2-phenylcyclopropyl)hexanoic acid has a molecular weight of 260.38 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-phenylcyclopropyl)hexanoic acid is sourced from PubChem (CID 116516649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).