Basic information
- CAS
16727-91-6- Standard SMILES
CC(C)Cc1cccc2ccccc12- InChIKey
ZYFTVCJVNRKBCC-UHFFFAOYSA-N- Molecular formula
- C14H16
- Average molar mass
- 184.28 g/mol
- Monoisotopic mass
- 184.12520051
Names & identifiers
- Preferred name
- 1-Isobutylnaphthalene
- IUPAC
- 1-(2-methylpropyl)naphthalene
- English name
- 1-Isobutylnaphthalene
- Molecular formula
- C14H16
- Molecular weight
- 184.28
Names & synonyms
1-ISOBUTYLNAPHTHALENE1-(2-methylpropyl)naphthalene16727-91-6Naphthalene, 1-isobutyl-Naphthalene, 1-(2-methylpropyl)-U2970XE5JBUNII-U2970XE5JBisobutylnaphthalene1-Isobutylnaphthalene #I+/--isobutylnaphthalene.alpha.-IsobutylnaphthaleneSCHEMBL269372
Show more names
monoisopropylmethylnaphthalene
SCHEMBL331127SCHEMBL3243723SCHEMBL4629871SCHEMBL4817621SCHEMBL7833703SCHEMBL7836317DTXSID10168261ZYFTVCJVNRKBCC-UHFFFAOYSA-N
Database identifiers
- CAS
16727-91-6- PubChem CID
- 28017
- DTXSID
DTXSID10168261- UNII
- U2970XE5JB
- Nikkaji
- J99.431F
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -9.4 °C · -9.4°C
- Boiling point
- 279.34 °C · 279.34°C
- Density
- 0.968 · 0.9680
- refractive index
- 1.577 · 1.5770
- FDA UNII
- 2970 XE5JB · U2970XE5JB
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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