1-(1-Methylpropyl)naphthalene
Basic information
- CAS
1680-58-6- Standard SMILES
CCC(C)c1cccc2ccccc12- InChIKey
NDLQGVXBUFZFIX-UHFFFAOYSA-N- Molecular formula
- C14H16
- Average molar mass
- 184.28 g/mol
- Monoisotopic mass
- 184.12520051
Names & identifiers
- Preferred name
- 1-(1-Methylpropyl)naphthalene
- IUPAC
- 1-butan-2-ylnaphthalene
Names & synonyms
Naphthalene, 1-(1-methylpropyl)-1-sec-butylnaphthalene1-(1-Methylpropyl)naphthalene8X0K8ND625NSC-75368UNII-8X0K8ND625NSC 75368RefChem:1968891680-58-61-(SEC-BUTYL)NAPHTHALENE1-(butan-2-yl)naphthaleneNSC75368
Show more names
I+/--sec-butylnaphthaleneSCHEMBL264495SCHEMBL537178SCHEMBL2127427SCHEMBL2502570SCHEMBL4818412SCHEMBL7832056SCHEMBL7833543
Database identifiers
- CAS
1680-58-6- PubChem CID
- 137154
- DTXSID
DTXSID501350966- UNII
- 8X0K8ND625
- Nikkaji
- J706.244C
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 173
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
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Compound notes
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