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Molecule
ID:84008
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₅H₂₄
Molecular Mass
204.35106
Exact Mass
204.18780077
Charge
0
InChI
InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12?,13?,15?/m0/s1
InChIKey
IRAQOCYXUMOFCW-PXWWDBQQSA-N
Canonic Smiles
CC1=CCC23CC1C(C)(C)C2CC[C@@H]3C
Isomeric Smiles
CC1(C2C3(CC1C(=CC3)C)[C@H](CC2)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.101158
LogD (pH = 7.4)
4.101158
Log P
4.101158
Molar Refractivity
65.6944
Polarizability
25.986029
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
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Molecule Details
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From Data Sources
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Data Source
Commercial Catalog
Apollo Scientific
OR26827
Academic Data
PubChem
44118994
Names and Identifiers
IUPAC name
(2S)-2,6,6,8-tetramethyltricyclo[5.3.1.0^{1,5}]undec-8-ene
Synonyms
2,6,6,8-tetramethyltricyclo[5.3.1.0~1,5~]undec-8-ene
IUPAC Traditional name
(2S)-2,6,6,8-tetramethyltricyclo[5.3.1.0^{1,5}]undec-8-ene
Registration numbers
PubChem CID
44118994
PubChem SID
162071124
MDL Number
MFCD00180694
CAS Number
19069-48-8
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay