Cadalene
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Basic information
- CAS
483-78-3- Standard SMILES
Cc1ccc2c(C)ccc(C(C)C)c2c1- InChIKey
VMOJIHDTVZTGDO-UHFFFAOYSA-N- Molecular formula
- C15H18
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.14085057
Names & identifiers
- Preferred name
- Cadalene
- IUPAC
- 1,6-dimethyl-4-propan-2-ylnaphthalene
- English name
- CADALENE
- Molecular formula
- C15H18
- Molecular weight
- 198.3
Names & synonyms
CADALENECadalin483-78-34-Isopropyl-1,6-dimethylnaphthalene1,6-dimethyl-4-propan-2-ylnaphthaleneNaphthalene, 1,6-dimethyl-4-(1-methylethyl)-1,6-Dimethyl-4-(1-methylethyl)naphthalene1,6-dimethyl-4-isopropylnaphthaleneUNII-49X2436USBNaphthalene, 4-isopropyl-1,6-dimethyl-49X2436USBCADALENE [MI]
Show more names
CadalineCadalene (99%)NAPHTHALENE,1,6-DIMETHYL-4-(1)
DTXSID401974831,6-Dimethyl-4-isopropylnaphthaIene1,6-dimethyl-4-(1-methylethyl) naphthaleneRefChem:122548DTXCID501199741,6-Dimethyl-4-Isopropyl Naphthalene610-418-0VMOJIHDTVZTGDO-UHFFFAOYSA-N
Database identifiers
- CAS
483-78-3- PubChem CID
- 10225
- DTXSID
DTXSID40197483- ChEMBL
CHEMBL250296- ChEBI
CHEBI:89476- UNII
- 49X2436USB
- EC Number
- 610-418-0
- Nikkaji
- J5.991I
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- -14.17 °C · -14.17°C (estimate)
- Boiling point
- 720 · bp720 291-292°; bp10 149°
- Density
- 425 · d425 0.9667
- refractive index
- 25 · nD25 1.5785
- LogP
- 5.698 · 5.698 (est)
- FDA UNII
- 49 X2436USB · 49X2436USB
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Cadalene is a sesquiterpene.
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Related reactions
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Compound notes
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