1-tert-butyl-6-methylnaphthalene

C15H18 — CID 3019596

IUPAC1-tert-butyl-6-methylnaphthalene
SMILESCc1ccc2c(C(C)(C)C)cccc2c1
InChIInChI=1S/C15H18/c1-11-8-9-13-12(10-11)6-5-7-14(13)15(2,3)4/h5-10H,1-4H3
InChIKeySQYCYQDFEIGGQB-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.45
Rot. Bonds

About 1-tert-butyl-6-methylnaphthalene

1-tert-butyl-6-methylnaphthalene (PubChem CID 3019596) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-tert-butyl-6-methylnaphthalene.

Molecular Properties

Compound Name1-tert-butyl-6-methylnaphthalene
PubChem CID3019596
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-tert-butyl-6-methylnaphthalene
SMILESCc1ccc2c(C(C)(C)C)cccc2c1
InChIInChI=1S/C15H18/c1-11-8-9-13-12(10-11)6-5-7-14(13)15(2,3)4/h5-10H,1-4H3
InChIKeySQYCYQDFEIGGQB-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-methylnaphthalene?
The IUPAC name of 1-tert-butyl-6-methylnaphthalene (CID 3019596) is 1-tert-butyl-6-methylnaphthalene.
What is the SMILES notation for 1-tert-butyl-6-methylnaphthalene?
The canonical SMILES for 1-tert-butyl-6-methylnaphthalene is Cc1ccc2c(C(C)(C)C)cccc2c1.
What is the InChIKey of 1-tert-butyl-6-methylnaphthalene?
The InChIKey is SQYCYQDFEIGGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-11-8-9-13-12(10-11)6-5-7-14(13)15(2,3)4/h5-10H,1-4H3.
What are the key properties of 1-tert-butyl-6-methylnaphthalene?
1-tert-butyl-6-methylnaphthalene has a molecular weight of 198.31 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-methylnaphthalene is sourced from PubChem (CID 3019596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).