2-ethyl-1-[6-(2-ethyl-2-methylbutanoyl)naphthalen-2-yl]-2-methylbutan-1-one

C24H32O2 — CID 138743549

IUPAC2-ethyl-1-[6-(2-ethyl-2-methylbutanoyl)naphthalen-2-yl]-2-methylbutan-1-one
SMILESCCC(C)(CC)C(=O)c1ccc2cc(C(=O)C(C)(CC)CC)ccc2c1
InChIInChI=1S/C24H32O2/c1-7-23(5,8-2)21(25)19-13-11-18-16-20(14-12-17(18)15-19)22(26)24(6,9-3)10-4/h11-16H,7-10H2,1-6H3
InChIKeySFRLBLHPQIISKE-UHFFFAOYSA-N
MW352.52 g/mol
LogP6.86
Rot. Bonds8

About 2-ethyl-1-[6-(2-ethyl-2-methylbutanoyl)naphthalen-2-yl]-2-methylbutan-1-one

2-ethyl-1-[6-(2-ethyl-2-methylbutanoyl)naphthalen-2-yl]-2-methylbutan-1-one (PubChem CID 138743549) has the molecular formula C24H32O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-ethyl-1-[6-(2-ethyl-2-methylbutanoyl)naphthalen-2-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[6-(2-ethyl-2-methylbutanoyl)naphthalen-2-yl]-2-methylbutan-1-one
PubChem CID138743549
Molecular FormulaC24H32O2
Molecular Weight352.52 g/mol
Exact Mass352.24
IUPAC Name2-ethyl-1-[6-(2-ethyl-2-methylbutanoyl)naphthalen-2-yl]-2-methylbutan-1-one
SMILESCCC(C)(CC)C(=O)c1ccc2cc(C(=O)C(C)(CC)CC)ccc2c1
InChIInChI=1S/C24H32O2/c1-7-23(5,8-2)21(25)19-13-11-18-16-20(14-12-17(18)15-19)22(26)24(6,9-3)10-4/h11-16H,7-10H2,1-6H3
InChIKeySFRLBLHPQIISKE-UHFFFAOYSA-N
XLogP6.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[6-(2-ethyl-2-methylbutanoyl)naphthalen-2-yl]-2-methylbutan-1-one?
The IUPAC name of 2-ethyl-1-[6-(2-ethyl-2-methylbutanoyl)naphthalen-2-yl]-2-methylbutan-1-one (CID 138743549) is 2-ethyl-1-[6-(2-ethyl-2-methylbutanoyl)naphthalen-2-yl]-2-methylbutan-1-one.
What is the SMILES notation for 2-ethyl-1-[6-(2-ethyl-2-methylbutanoyl)naphthalen-2-yl]-2-methylbutan-1-one?
The canonical SMILES for 2-ethyl-1-[6-(2-ethyl-2-methylbutanoyl)naphthalen-2-yl]-2-methylbutan-1-one is CCC(C)(CC)C(=O)c1ccc2cc(C(=O)C(C)(CC)CC)ccc2c1.
What is the InChIKey of 2-ethyl-1-[6-(2-ethyl-2-methylbutanoyl)naphthalen-2-yl]-2-methylbutan-1-one?
The InChIKey is SFRLBLHPQIISKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O2/c1-7-23(5,8-2)21(25)19-13-11-18-16-20(14-12-17(18)15-19)22(26)24(6,9-3)10-4/h11-16H,7-10H2,1-6H3.
What are the key properties of 2-ethyl-1-[6-(2-ethyl-2-methylbutanoyl)naphthalen-2-yl]-2-methylbutan-1-one?
2-ethyl-1-[6-(2-ethyl-2-methylbutanoyl)naphthalen-2-yl]-2-methylbutan-1-one has a molecular weight of 352.52 g/mol, XLogP of 6.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[6-(2-ethyl-2-methylbutanoyl)naphthalen-2-yl]-2-methylbutan-1-one is sourced from PubChem (CID 138743549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).