2,3-ditert-butylnaphthalene

C18H24 — CID 14173307

IUPAC2,3-ditert-butylnaphthalene
SMILESCC(C)(C)c1cc2ccccc2cc1C(C)(C)C
InChIInChI=1S/C18H24/c1-17(2,3)15-11-13-9-7-8-10-14(13)12-16(15)18(4,5)6/h7-12H,1-6H3
InChIKeyUECRTSUXVXLOOZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.43
Rot. Bonds

About 2,3-ditert-butylnaphthalene

2,3-ditert-butylnaphthalene (PubChem CID 14173307) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2,3-ditert-butylnaphthalene.

Molecular Properties

Compound Name2,3-ditert-butylnaphthalene
PubChem CID14173307
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name2,3-ditert-butylnaphthalene
SMILESCC(C)(C)c1cc2ccccc2cc1C(C)(C)C
InChIInChI=1S/C18H24/c1-17(2,3)15-11-13-9-7-8-10-14(13)12-16(15)18(4,5)6/h7-12H,1-6H3
InChIKeyUECRTSUXVXLOOZ-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tris(3-tert-butylnaphthalen-2-yl) phosphite
CID 19087278
2,3-ditert-butyltetraphenylene
CID 166497085
3-tert-butyl-2-methylquinoline
CID 89390827
(3-tert-butylnaphthalen-2-yl)oxy-[3-[3-(3-tert-butylnaphthalen-2-yl)oxyphosphanyloxynaphthalen-2-yl]naphthalen-2-yl]oxyphosphane
CID 20677953
methyl 3-tert-butylnaphthalene-2-carboxylate
CID 58452214
4,9-ditert-butylphenanthrene
CID 140702343
CID 175472927
CID 175472927
4,10-ditert-butylpyrene
CID 140674457
2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene
CID 100923189
5-tert-butylchrysene
CID 140946805
10-tert-butylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 140946759
2,2-dimethylpropane;naphthalene
CID 91188461

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butylnaphthalene?
The IUPAC name of 2,3-ditert-butylnaphthalene (CID 14173307) is 2,3-ditert-butylnaphthalene.
What is the SMILES notation for 2,3-ditert-butylnaphthalene?
The canonical SMILES for 2,3-ditert-butylnaphthalene is CC(C)(C)c1cc2ccccc2cc1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butylnaphthalene?
The InChIKey is UECRTSUXVXLOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-17(2,3)15-11-13-9-7-8-10-14(13)12-16(15)18(4,5)6/h7-12H,1-6H3.
What are the key properties of 2,3-ditert-butylnaphthalene?
2,3-ditert-butylnaphthalene has a molecular weight of 240.39 g/mol, XLogP of 5.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butylnaphthalene is sourced from PubChem (CID 14173307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).