2-ethyl-2-methyl-1-[6-(2-methylpentan-2-yloxy)naphthalen-2-yl]butan-1-one

C23H32O2 — CID 71177718

IUPAC2-ethyl-2-methyl-1-[6-(2-methylpentan-2-yloxy)naphthalen-2-yl]butan-1-one
SMILESCCCC(C)(C)Oc1ccc2cc(C(=O)C(C)(CC)CC)ccc2c1
InChIInChI=1S/C23H32O2/c1-7-14-22(4,5)25-20-13-12-17-15-19(11-10-18(17)16-20)21(24)23(6,8-2)9-3/h10-13,15-16H,7-9,14H2,1-6H3
InChIKeyMWSBSWLNPVWYDN-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.81
Rot. Bonds8

About 2-ethyl-2-methyl-1-[6-(2-methylpentan-2-yloxy)naphthalen-2-yl]butan-1-one

2-ethyl-2-methyl-1-[6-(2-methylpentan-2-yloxy)naphthalen-2-yl]butan-1-one (PubChem CID 71177718) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-ethyl-2-methyl-1-[6-(2-methylpentan-2-yloxy)naphthalen-2-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-1-[6-(2-methylpentan-2-yloxy)naphthalen-2-yl]butan-1-one
PubChem CID71177718
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name2-ethyl-2-methyl-1-[6-(2-methylpentan-2-yloxy)naphthalen-2-yl]butan-1-one
SMILESCCCC(C)(C)Oc1ccc2cc(C(=O)C(C)(CC)CC)ccc2c1
InChIInChI=1S/C23H32O2/c1-7-14-22(4,5)25-20-13-12-17-15-19(11-10-18(17)16-20)21(24)23(6,8-2)9-3/h10-13,15-16H,7-9,14H2,1-6H3
InChIKeyMWSBSWLNPVWYDN-UHFFFAOYSA-N
XLogP6.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-[6-(2-ethyl-2-methylbutanoyl)naphthalen-2-yl]-2-methylbutan-1-one
CID 138743549
[4-[2-[4-(2-methylpentan-2-yloxy)phenyl]pentan-2-yl]phenyl] 3-(2-ethyl-2-methylbutanoyl)benzoate
CID 134201488
4-[4-(2-ethyl-2-methylbutanoyl)phenoxy]benzoic acid
CID 70962727
2,2-diamino-1-(4-methoxyphenyl)pentan-1-one
CID 163211686
2-(2-methylpentan-2-yloxy)-6-[4-[4-(3-methylpentan-3-yl)phenyl]sulfonylphenoxy]naphthalene
CID 71204952
6-(2,4-dimethyl-4-phenylpentan-2-yl)oxynaphthalene-2-carboxylic acid
CID 163647200
1-methyl-4-(2-methylpentan-2-yloxy)benzene
CID 163980020
[4-[2-[4-(2-methylpentan-2-yloxy)phenyl]pentan-2-yl]phenyl] 3-(2,2-dimethylpropanoyl)benzoate
CID 89467801
(6E,8E)-9-[4-(2,2-dimethylbutanoyl)phenoxy]-4-ethyl-4,6-dimethyldeca-6,8-dien-5-one
CID 134238929
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
CID 24726833
methyl 4-(2-methylbutan-2-yloxy)benzoate
CID 71046237
6-octadecoxynaphthalene-2-carboxylic acid
CID 71245003

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-1-[6-(2-methylpentan-2-yloxy)naphthalen-2-yl]butan-1-one?
The IUPAC name of 2-ethyl-2-methyl-1-[6-(2-methylpentan-2-yloxy)naphthalen-2-yl]butan-1-one (CID 71177718) is 2-ethyl-2-methyl-1-[6-(2-methylpentan-2-yloxy)naphthalen-2-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-2-methyl-1-[6-(2-methylpentan-2-yloxy)naphthalen-2-yl]butan-1-one?
The canonical SMILES for 2-ethyl-2-methyl-1-[6-(2-methylpentan-2-yloxy)naphthalen-2-yl]butan-1-one is CCCC(C)(C)Oc1ccc2cc(C(=O)C(C)(CC)CC)ccc2c1.
What is the InChIKey of 2-ethyl-2-methyl-1-[6-(2-methylpentan-2-yloxy)naphthalen-2-yl]butan-1-one?
The InChIKey is MWSBSWLNPVWYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-7-14-22(4,5)25-20-13-12-17-15-19(11-10-18(17)16-20)21(24)23(6,8-2)9-3/h10-13,15-16H,7-9,14H2,1-6H3.
What are the key properties of 2-ethyl-2-methyl-1-[6-(2-methylpentan-2-yloxy)naphthalen-2-yl]butan-1-one?
2-ethyl-2-methyl-1-[6-(2-methylpentan-2-yloxy)naphthalen-2-yl]butan-1-one has a molecular weight of 340.51 g/mol, XLogP of 6.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-1-[6-(2-methylpentan-2-yloxy)naphthalen-2-yl]butan-1-one is sourced from PubChem (CID 71177718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).