(Trans,Trans)-4′-Ethyl[1,1′-Bicyclohexyl]-4-Carboxylic Acid

CAS: 84976-67-0 | C15H26O2

Loading 3D structure...

CAS Registry Number: 84976-67-0

Molecular Formula: C15H26O2

Molecular Mass: 238.37 g/mol

(Trans,Trans)-4′-Ethyl[1,1′-Bicyclohexyl]-4-Carboxylic Acid

[1,1′-Bicyclohexyl]-4-carboxylic acid, 4′-ethyl-, (trans,trans)-

(trans,trans)-4′-Ethyl[1,1′-bicyclohexyl]-4-carboxylic acid

trans-4-(4-Ethylcyclohexyl)cyclohexanecarboxylic acid

trans-4-(trans-4-Ethylcyclohexyl)cyclohexanecarboxylic acid

CC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)O)CC2)CC1

InChI=1/C15H26O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h11-14H,2-10H2,1H3,(H,16,17)/t11-,12-,13-,14-

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	238.37 g/mol	CAS Common Chemistry
	238.37099999999995 g/mol	RDKit
	238.193280072 g/mol	RDKit
Canonical SMILES	O=C(O)C1CCC(CC1)C2CCC(CC)CC2	CAS Common Chemistry
InChI	InChI=1/C15H26O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h11-14H,2-10H2,1H3,(H,16,17)/t11-,12-,13-,14-	CAS Common Chemistry
InChI Key	InChIKey=OQIHEFMTIUJJET-HDRKRICHNA-N	CAS Common Chemistry
Name	(trans,trans)-4′-Ethyl[1,1′-bicyclohexyl]-4-carboxylic acid	CAS Common Chemistry
Heavy Atom Count	17	RDKit
Hydrogen Bond Acceptors	1	RDKit
Hydrogen Bond Donors	1	RDKit
Rotatable Bonds	3	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	37.3 Å²	RDKit
LogP	4.0938000000000025	RDKit
Molar Refractivity	68.82280000000004	RDKit