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(1S) - (+) -3-Carene

CAT: 0024-sc-251652Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-251652Size:1 g
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CAS Number
498-15-7

Chemical Information

(+)-3-Carene

(+)-car-3-ene is a car-3-ene (3,7,7-trimethylbicyclo[4.1.0]hept-3-ene) that has S configuration at position 1 and R configuration at position 6. It is an enantiomer of a (-)-car-3-ene.

CAS Number498-15-7
PubChem CID443156
IUPAC Name(1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
Molecular FormulaC10H16
Molecular Weight136.23
XLogP2.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity186
SMILES
CC1=CC[C@@H]2[C@H](C1)C2(C)C
InChI
InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m1/s1
InChIKey
BQOFWKZOCNGFEC-BDAKNGLRSA-N
Chemical Structure
2D Structure
2D structure of (+)-3-Carene
CAS: 498-15-7
CID: 443156
Formula: C10H16
MW: 136.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.23
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass136.125200510
Monoisotopic Mass136.125200510
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity186
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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