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1-Adamantanemethanol

CAT: 0024-sc-253882ASize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-253882ASize:1 g
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CAS Number
770-71-8

Chemical Information

Tricyclo(3.3.1.1'3,7)dec-1-ylmethanol
CAS Number770-71-8
PubChem CID64556
IUPAC Name1-adamantylmethanol
Molecular FormulaC11H18O
Molecular Weight166.26
XLogP2.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity156
SMILES
C1C2CC3CC1CC(C2)(C3)CO
InChI
InChI=1S/C11H18O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,12H,1-7H2
InChIKey
MDVGOOIANLZFCP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tricyclo(3.3.1.1'3,7)dec-1-ylmethanol
CAS: 770-71-8
CID: 64556
Formula: C11H18O
MW: 166.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.26
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass166.135765193
Monoisotopic Mass166.135765193
Topological Polar Surface Area20.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity156
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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