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(-)-trans-Pinocarveol

CAT: 0024-sc-253729Size: 1 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-253729Size:1 mL
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CAS Number
547-61-5

Chemical Information

Pinocarveol, trans-(-)-

(-)-trans-pinocarveol is the (1S,3R,5S)-stereoisomer of pinocarveol.

CAS Number547-61-5
PubChem CID1201530
IUPAC Name(1S,3R,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol
Molecular FormulaC10H16O
Molecular Weight152.23
XLogP1.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity205
SMILES
CC1([C@H]2C[C@@H]1C(=C)[C@@H](C2)O)C
InChI
InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3/t7-,8+,9+/m0/s1
InChIKey
LCYXQUJDODZYIJ-DJLDLDEBSA-N
Chemical Structure
2D Structure
2D structure of Pinocarveol, trans-(-)-
CAS: 547-61-5
CID: 1201530
Formula: C10H16O
MW: 152.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.23
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass152.120115130
Monoisotopic Mass152.120115130
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity205
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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