2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid

C18H34O2 — CID 81020903

IUPAC2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCCCCC(CC)CC1CC(C(C)C)CCC1C(=O)O
InChIInChI=1S/C18H34O2/c1-5-7-8-14(6-2)11-16-12-15(13(3)4)9-10-17(16)18(19)20/h13-17H,5-12H2,1-4H3,(H,19,20)
InChIKeyJVRHRJWKLPFCAR-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.37
Rot. Bonds8

About 2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid

2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 81020903) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID81020903
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCCCCC(CC)CC1CC(C(C)C)CCC1C(=O)O
InChIInChI=1S/C18H34O2/c1-5-7-8-14(6-2)11-16-12-15(13(3)4)9-10-17(16)18(19)20/h13-17H,5-12H2,1-4H3,(H,19,20)
InChIKeyJVRHRJWKLPFCAR-UHFFFAOYSA-N
XLogP5.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-ethylhexyl)cyclopentane-1-carboxylic acid
CID 81008544
2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020503
2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974196
2-cyclopropyl-5-ethylnonan-3-one
CID 114963721
2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021482
3-ethyl-1-(4-propan-2-ylcyclohexyl)heptan-1-ol
CID 65425475
2-(cyclohexylmethyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021233
N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 55200354
1-(2-ethylhexyl)-4-methylpiperidine-2-carboxylic acid
CID 114426636
3-(2-ethylhexyl)-2-methylcyclopentan-1-one
CID 64908527
4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1-carboxylic acid
CID 81013437
trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
CID 94420067

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid (CID 81020903) is 2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid is CCCCC(CC)CC1CC(C(C)C)CCC1C(=O)O.
What is the InChIKey of 2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is JVRHRJWKLPFCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-5-7-8-14(6-2)11-16-12-15(13(3)4)9-10-17(16)18(19)20/h13-17H,5-12H2,1-4H3,(H,19,20).
What are the key properties of 2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 282.47 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81020903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).