2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one

C16H22O — CID 62679922

IUPAC2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
SMILESCCC(C)(C)C(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H22O/c1-4-16(2,3)15(17)14-10-9-12-7-5-6-8-13(12)11-14/h9-11H,4-8H2,1-3H3
InChIKeyXWLKNIFATGPDRW-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.18
Rot. Bonds3

About 2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one

2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one (PubChem CID 62679922) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
PubChem CID62679922
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
SMILESCCC(C)(C)C(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H22O/c1-4-16(2,3)15(17)14-10-9-12-7-5-6-8-13(12)11-14/h9-11H,4-8H2,1-3H3
InChIKeyXWLKNIFATGPDRW-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(2,2-dimethylbutanoyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 62677640
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82050708
2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 116830081
1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one
CID 103446716
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
2-methyl-2-morpholin-4-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 19879459
1-(3,4-dichlorophenyl)-2,2-dimethylbutan-1-one
CID 24724058
1-(1-deuterio-2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropan-1-one
CID 59505393
2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide
CID 82118310
2-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)butanoic acid
CID 116922813
(E)-3-(2,3-dihydro-1H-inden-5-yl)hex-2-enoic acid
CID 82049014

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one?
The IUPAC name of 2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one (CID 62679922) is 2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one is CCC(C)(C)C(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one?
The InChIKey is XWLKNIFATGPDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-4-16(2,3)15(17)14-10-9-12-7-5-6-8-13(12)11-14/h9-11H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one?
2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one has a molecular weight of 230.35 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one is sourced from PubChem (CID 62679922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).