2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene

C30H36 — CID 161399944

IUPAC2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene
SMILESCc1ccc2cc(C(C)(C)C)ccc2c1.Cc1ccc2ccc(C(C)(C)C)cc2c1
InChIInChI=1S/2C15H18/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-11-5-6-12-7-8-14(15(2,3)4)10-13(12)9-11/h2*5-10H,1-4H3
InChIKeyVUCGGISNXDBCKG-UHFFFAOYSA-N
MW396.62 g/mol
LogP8.89
Rot. Bonds

About 2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene

2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene (PubChem CID 161399944) has the molecular formula C30H36 and a molecular weight of 396.62 g/mol. Its IUPAC name is 2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene.

Molecular Properties

Compound Name2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene
PubChem CID161399944
Molecular FormulaC30H36
Molecular Weight396.62 g/mol
Exact Mass396.28
IUPAC Name2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene
SMILESCc1ccc2cc(C(C)(C)C)ccc2c1.Cc1ccc2ccc(C(C)(C)C)cc2c1
InChIInChI=1S/2C15H18/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-11-5-6-12-7-8-14(15(2,3)4)10-13(12)9-11/h2*5-10H,1-4H3
InChIKeyVUCGGISNXDBCKG-UHFFFAOYSA-N
XLogP8.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene?
The IUPAC name of 2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene (CID 161399944) is 2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene.
What is the SMILES notation for 2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene?
The canonical SMILES for 2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene is Cc1ccc2cc(C(C)(C)C)ccc2c1.Cc1ccc2ccc(C(C)(C)C)cc2c1.
What is the InChIKey of 2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene?
The InChIKey is VUCGGISNXDBCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H18/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-11-5-6-12-7-8-14(15(2,3)4)10-13(12)9-11/h2*5-10H,1-4H3.
What are the key properties of 2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene?
2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene has a molecular weight of 396.62 g/mol, XLogP of 8.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene is sourced from PubChem (CID 161399944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).