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1,1,3-Trimethylcyclohexane

CAT: 0931-T203989-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T203989-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3073-66-3
Target
Others
Related Pathways
Others
Bioactivity
1,1,3-Trimethylcyclohexane is a cyclohexane derivative widely used in biochemical experiments and drug synthesis research.
Smiles
CC1CCCC(C)(C)C1
Molecular Formula
C9H18
Molecular Weight
126.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cyclogeraniolane
CAS Number3073-66-3
PubChem CID18309
IUPAC Name1,1,3-trimethylcyclohexane
Molecular FormulaC9H18
Molecular Weight126.24
XLogP4.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity92
SMILES
CC1CCCC(C1)(C)C
InChI
InChI=1S/C9H18/c1-8-5-4-6-9(2,3)7-8/h8H,4-7H2,1-3H3
InChIKey
PYOLJOJPIPCRDP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclogeraniolane
CAS: 3073-66-3
CID: 18309
Formula: C9H18
MW: 126.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.24
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass126.140850574
Monoisotopic Mass126.140850574
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity92.2
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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Alternative Products

CatalogName
BUP22837-011,1,3-Trimethylcyclohexane
sc-4743571,2,3-Trimethylcyclohexane
sc-4752321,3,5-Trimethylcyclohexane
XJB28813-013-Bromo-1,1,5-trimethylcyclohexane
TRC-T796095-100MGcis-1,3,5-Trimethylcyclohexane
sc-4757101,1,2-Trimethylcyclohexane
sc-4752971,1,4-Trimethylcyclohexane
PC6220H-01Perfluoro (1,3,5-trimethylcyclohexane)
T271851,3,5-Trimethylcyclohexane 97%
FP30055-01Perfluoro-1,3,5-trimethylcyclohexane

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