2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid

C18H32O2 — CID 81020736

IUPAC2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(C2CCCCC2CC)C1
InChIInChI=1S/C18H32O2/c1-3-7-13-10-11-16(18(19)20)17(12-13)15-9-6-5-8-14(15)4-2/h13-17H,3-12H2,1-2H3,(H,19,20)
InChIKeyKFXNBKFCGSHAJM-UHFFFAOYSA-N
MW280.45 g/mol
LogP5.12
Rot. Bonds5

About 2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid

2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid (PubChem CID 81020736) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid
PubChem CID81020736
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(C2CCCCC2CC)C1
InChIInChI=1S/C18H32O2/c1-3-7-13-10-11-16(18(19)20)17(12-13)15-9-6-5-8-14(15)4-2/h13-17H,3-12H2,1-2H3,(H,19,20)
InChIKeyKFXNBKFCGSHAJM-UHFFFAOYSA-N
XLogP5.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-ethylcyclohexyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81021336
2-but-3-enyl-4-propylcyclohexane-1-carboxylic acid
CID 81020893
2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 139838186
2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020731
2-[cycloheptyl(methyl)amino]-4-propylcyclohexane-1-carboxylic acid
CID 63069511
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 18691683
4-propylcyclononane-1-carboxylic acid
CID 123911377
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
2-[(3-propylazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 79688129
disodium;4-butylcyclohexane-1,2-dicarboxylic acid;hydride
CID 175118438
2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid
CID 107889260
2-(3-ethylcyclohexyl)cyclohexane-1-carboxylic acid
CID 81008287

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid (CID 81020736) is 2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)C(C2CCCCC2CC)C1.
What is the InChIKey of 2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is KFXNBKFCGSHAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-3-7-13-10-11-16(18(19)20)17(12-13)15-9-6-5-8-14(15)4-2/h13-17H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid?
2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 280.45 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81020736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).