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trans-4-Pentyl-(1,1-bicyclohexyl)-4-carboxylic acid

trans-4-Pentyl-(1,1-bicyclohexyl)-4-carboxylic acid - CAS 65355-33-1

Catalog:	BB053709
Product Name:	trans-4-Pentyl-(1,1-bicyclohexyl)-4-carboxylic acid
CAS:	65355-33-1
Synonyms:	trans-4'-Pentyl-(1,1'-bicyclohexyl)-4-carboxylicacid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid
Molecular Weight:	280.4
Molecular Formula:	C18H32O2
Canonical SMILES:	CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)O
InChI:	InChI=1S/C18H32O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h14-17H,2-13H2,1H3,(H,19,20)
InChI Key:	VRPANQODGRNWRV-UHFFFAOYSA-N
Purity:	>98% by GC
Appearance:	White Powder

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

Cyclohexane

[82832-73-3]
4-(4-propylcyclohexyl)cyclohexanone
[1228360-12-0]
ethyl (1S,3R,4S)-rel-3-fluoro-4-hydroxycyclohexane-1-carboxylate
[50654-43-8]
1-(Hydroxymethyl)cyclohexane-1-carbonitrile
[1033540-26-9]
4-[2-(trans-4-Butylcyclohexyl)ethyl]cyclohexanone
[1344110-31-1]
1-Amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
[1431964-29-2]
2-[(4-Tert-butylcyclohexyl)amino]butan-1-ol oxalic acid

GHS Hazard Statement:	H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (66.67%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (33.33%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H410 (33.33%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	284
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	280.240230259
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	280.240230259
Rotatable Bond Count:	6
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.7