6-tert-butyl-1-methylnaphthalene

C15H18 — CID 3019609

IUPAC6-tert-butyl-1-methylnaphthalene
SMILESCc1cccc2cc(C(C)(C)C)ccc12
InChIInChI=1S/C15H18/c1-11-6-5-7-12-10-13(15(2,3)4)8-9-14(11)12/h5-10H,1-4H3
InChIKeyUJCRBWGNDBJACW-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.45
Rot. Bonds

About 6-tert-butyl-1-methylnaphthalene

6-tert-butyl-1-methylnaphthalene (PubChem CID 3019609) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 6-tert-butyl-1-methylnaphthalene.

Molecular Properties

Compound Name6-tert-butyl-1-methylnaphthalene
PubChem CID3019609
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name6-tert-butyl-1-methylnaphthalene
SMILESCc1cccc2cc(C(C)(C)C)ccc12
InChIInChI=1S/C15H18/c1-11-6-5-7-12-10-13(15(2,3)4)8-9-14(11)12/h5-10H,1-4H3
InChIKeyUJCRBWGNDBJACW-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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Related Compounds

bis(1-tert-butyl-3-fluorobenzene);bis(3-tert-butyl-1-methylnaphthalene);methane
CID 159084291
2-(8-methylnaphthalen-2-yl)propan-2-amine
CID 105452347
1-methyl-6-propan-2-ylnaphthalene
CID 58126565
2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene
CID 158261275
2,4-ditert-butyl-1-methylbenzene;1,7-ditert-butylnaphthalene
CID 158611419
6-ethynyl-1-methylnaphthalene
CID 157097712
2-tert-butyl-9-[4-(2-methylphenyl)naphthalen-1-yl]-10-naphthalen-1-ylanthracene
CID 58895436
2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 167578783
1,7-ditert-butylnaphthalene
CID 59350345
(3,7-ditert-butylnaphthalen-1-yl)boronic acid
CID 58068101
1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene
CID 143742447
5-methylnaphthalene-2-carboxamide
CID 89351493

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-methylnaphthalene?
The IUPAC name of 6-tert-butyl-1-methylnaphthalene (CID 3019609) is 6-tert-butyl-1-methylnaphthalene.
What is the SMILES notation for 6-tert-butyl-1-methylnaphthalene?
The canonical SMILES for 6-tert-butyl-1-methylnaphthalene is Cc1cccc2cc(C(C)(C)C)ccc12.
What is the InChIKey of 6-tert-butyl-1-methylnaphthalene?
The InChIKey is UJCRBWGNDBJACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-11-6-5-7-12-10-13(15(2,3)4)8-9-14(11)12/h5-10H,1-4H3.
What are the key properties of 6-tert-butyl-1-methylnaphthalene?
6-tert-butyl-1-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 6-tert-butyl-1-methylnaphthalene is sourced from PubChem (CID 3019609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).