ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid

C22H40O2 — CID 145196204

IUPACethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid
SMILESCC1CCC(C2CCC(C(=O)O)CC2)CC1.CCC1CCCCC1
InChIInChI=1S/C14H24O2.C8H16/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)16;1-2-8-6-4-3-5-7-8/h10-13H,2-9H2,1H3,(H,15,16);8H,2-7H2,1H3
InChIKeyAPMUVDHIGHTCAG-UHFFFAOYSA-N
MW336.56 g/mol
LogP6.68
Rot. Bonds3

About ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid

ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid (PubChem CID 145196204) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nameethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid
PubChem CID145196204
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Nameethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid
SMILESCC1CCC(C2CCC(C(=O)O)CC2)CC1.CCC1CCCCC1
InChIInChI=1S/C14H24O2.C8H16/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)16;1-2-8-6-4-3-5-7-8/h10-13H,2-9H2,1H3,(H,15,16);8H,2-7H2,1H3
InChIKeyAPMUVDHIGHTCAG-UHFFFAOYSA-N
XLogP6.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid
CID 66625513
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
4-propylcyclononane-1-carboxylic acid
CID 123911377
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
CID 173230624
CID 173230624
4-ethyl-1,7-dimethylcyclododecane
CID 123234850
(3R,4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene-3-carboxylic acid
CID 131049059
1-ethyl-4-methylcyclooctane;methane
CID 159989571
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone
CID 114975947
2-cyclopentyl-1-(4-methylcyclohexyl)ethanone
CID 62621954

Frequently Asked Questions

What is the IUPAC name of ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid?
The IUPAC name of ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid (CID 145196204) is ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid is CC1CCC(C2CCC(C(=O)O)CC2)CC1.CCC1CCCCC1.
What is the InChIKey of ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid?
The InChIKey is APMUVDHIGHTCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2.C8H16/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)16;1-2-8-6-4-3-5-7-8/h10-13H,2-9H2,1H3,(H,15,16);8H,2-7H2,1H3.
What are the key properties of ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid?
ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid has a molecular weight of 336.56 g/mol, XLogP of 6.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 145196204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).