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2-Cyclohexyldodecane

CAT: 0572-TRC-C145550-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C145550-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13151-82-1
Hazard Statement
No Data Available
Smiles
CC(C1CCCCC1)CCCCCCCCCC
Molecular Formula
C18H36
Molecular Weight
252.49
InChI
InChI=1S/C18H36/c1-3-4-5-6-7-8-9-11-14-17(2)18-15-12-10-13-16-18/h17-18H,3-16H2,1-2H3

Chemical Information

(1-Methylundecyl)cyclohexane
CAS Number13151-82-1
PubChem CID524433
IUPAC Namedodecan-2-ylcyclohexane
Molecular FormulaC18H36
Molecular Weight252.5
XLogP9.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count10
Heavy Atom Count18
Formal Charge0
Complexity167
SMILES
CCCCCCCCCCC(C)C1CCCCC1
InChI
InChI=1S/C18H36/c1-3-4-5-6-7-8-9-11-14-17(2)18-15-12-10-13-16-18/h17-18H,3-16H2,1-2H3
InChIKey
ICUZQSKSUXWHFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1-Methylundecyl)cyclohexane
CAS: 13151-82-1
CID: 524433
Formula: C18H36
MW: 252.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.5
XLogP39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count10
Exact Mass252.281701148
Monoisotopic Mass252.281701148
Topological Polar Surface Area0 Ų
Heavy Atom Count18
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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