Basic information
- CAS
21391-99-1- Standard SMILES
CC1=CCC(C(C)C)c2cc(C)ccc21- InChIKey
CUUMXRBKJIDIAY-UHFFFAOYSA-N- Molecular formula
- C15H20
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.15650064
Overview
3,4-Dihydrocadalene is a sesquiterpene.
Names & identifiers
- Preferred name
- 3,4-Dihydrocadalene
- IUPAC
- 4,7-dimethyl-1-propan-2-yl-1,2-dihydronaphthalene
- English name
- α-calacorene
- Molecular formula
- C15H20
- Molecular weight
- 200.32
Names & synonyms
3,4-Dihydrocadalene(E)-Calacorene.alpha.-Calacorene4,7-dimethyl-1-propan-2-yl-1,2-dihydronaphthaleneCalacorenealpha-corocalenalpha-colocarene7,8-dihydrocadaleneW7ZT2WT7WPCadina-1,3,5,9-tetraene.alpha.-Calacorene, (+)-4,7-dimethyl-1-(propan-2-yl)-1,2-dihydronaphthalene
Show more names
α-calacorenealfa-Calacorenealpha-Calacorene(S)-1,2-Dihydro-4,7-dimethyl-1-isopropylnaphthaleneNaphthalene, 1,2-dihydro-4,7-dimethyl-1-(1-methylethyl)-, (1S)-
SCHEMBL19815623CHEBI:88732CUUMXRBKJIDIAY-UHFFFAOYSA-N1,2-Dihydro-1-isopropyl-4,7-dimethylnaphthalene1-isopropyl-4,7-dimethyl-1,2-dihydro-naphthalene1-isopropyl-4,7-dimethyl-1,2-dihydro-naph-thaleneQ271606551,2-Dihydro-4,7-dimethyl-1-(1-methylethyl)naphthalene
Database identifiers
- CAS
21391-99-1、77129-50-1- PubChem CID
- 528708
- ChEBI
CHEBI:88732
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Experimental & physicochemical properties
Boiling Point289.00 to 290.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Boiling point
- 289.8 · 289.8±25.0 °C(Predicted)
- Density
- 0.927 · 0.927±0.06 g/cm3(Predicted)
- Odor
- 100 % · at 100.00%. woody
- LogP
- 6.218 · 6.218 (est)
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
Usesα-Calacorene is an aromatic sesquiterpene hydrocarbon that can be isolated from Reunion vetiver[1].
Upstream & downstream products
Downstream products
Suppliers4 total
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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