6-tert-butylnaphthalene-2,3-dicarbonitrile

C16H14N2 — CID 613000

IUPAC6-tert-butylnaphthalene-2,3-dicarbonitrile
SMILESCC(C)(C)c1ccc2cc(C#N)c(C#N)cc2c1
InChIInChI=1S/C16H14N2/c1-16(2,3)15-5-4-11-6-13(9-17)14(10-18)7-12(11)8-15/h4-8H,1-3H3
InChIKeyMKILROQBJOOZKC-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.88
Rot. Bonds

About 6-tert-butylnaphthalene-2,3-dicarbonitrile

6-tert-butylnaphthalene-2,3-dicarbonitrile (PubChem CID 613000) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-tert-butylnaphthalene-2,3-dicarbonitrile.

Molecular Properties

Compound Name6-tert-butylnaphthalene-2,3-dicarbonitrile
PubChem CID613000
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name6-tert-butylnaphthalene-2,3-dicarbonitrile
SMILESCC(C)(C)c1ccc2cc(C#N)c(C#N)cc2c1
InChIInChI=1S/C16H14N2/c1-16(2,3)15-5-4-11-6-13(9-17)14(10-18)7-12(11)8-15/h4-8H,1-3H3
InChIKeyMKILROQBJOOZKC-UHFFFAOYSA-N
XLogP3.88
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylnaphthalene-2,3-dicarbonitrile?
The IUPAC name of 6-tert-butylnaphthalene-2,3-dicarbonitrile (CID 613000) is 6-tert-butylnaphthalene-2,3-dicarbonitrile.
What is the SMILES notation for 6-tert-butylnaphthalene-2,3-dicarbonitrile?
The canonical SMILES for 6-tert-butylnaphthalene-2,3-dicarbonitrile is CC(C)(C)c1ccc2cc(C#N)c(C#N)cc2c1.
What is the InChIKey of 6-tert-butylnaphthalene-2,3-dicarbonitrile?
The InChIKey is MKILROQBJOOZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-16(2,3)15-5-4-11-6-13(9-17)14(10-18)7-12(11)8-15/h4-8H,1-3H3.
What are the key properties of 6-tert-butylnaphthalene-2,3-dicarbonitrile?
6-tert-butylnaphthalene-2,3-dicarbonitrile has a molecular weight of 234.30 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylnaphthalene-2,3-dicarbonitrile is sourced from PubChem (CID 613000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).