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Trans-4-propylcyclohexanol

CAT: 0127-OR939021Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR939021Size:1 Each
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CAS Number
77866-58-1
MDL Number
MFCD11114411
Purity
97%
Smiles
CCC[C@@H]1CC[C@@H](O)CC1

Chemical Information

4-Propylcyclohexanol
CAS Number77866-58-1
PubChem CID2775094
IUPAC Name4-propylcyclohexan-1-ol
Molecular FormulaC9H18O
Molecular Weight142.24
XLogP2.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity82
SMILES
CCCC1CCC(CC1)O
InChI
InChI=1S/C9H18O/c1-2-3-8-4-6-9(10)7-5-8/h8-10H,2-7H2,1H3
InChIKey
YVPZFPKENDZQEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Propylcyclohexanol
CAS: 77866-58-1
CID: 2775094
Formula: C9H18O
MW: 142.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.24
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass142.135765193
Monoisotopic Mass142.135765193
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity82.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-474064Trans-4-Propylcyclohexanol
sc-4740584-Propylcyclohexanol
QDA676252-Propylcyclohexanol (cis- and trans- mixture)
sc-2734111-n-Propylcyclohexanol
sc-272701Trans, trans-4'-Propylbicyclohexyl-4-yl 4- (trans-4-pentylcyclohexyl) -benzoate
sc-272685Trans, trans-4- (trans-4-Propylcyclohexyl) -phenyl 4'-propylbicyclohexyl-4-carboxylate
sc-272684Trans, trans-4- (trans-4-Propylcyclohexyl) -phenyl 4'-pentylbicyclohexyl-4-carboxylate
sc-272702Trans, trans-4'-Propylbicyclohexyl-4-yl 4- (trans-4-propylcyclohexyl) -benzoate
sc-272683Trans, trans-4- (trans-4-Pentylcyclohexyl) -phenyl 4'-propylbicyclohexyl-4-carboxylate
TRC-H653550-75MGtrans,trans-4-Heptylbicyclohexyl-4-nitrile

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