2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one

C16H22O — CID 43160270

IUPAC2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
SMILESCCCC(C)C(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H22O/c1-3-6-12(2)16(17)15-10-9-13-7-4-5-8-14(13)11-15/h9-12H,3-8H2,1-2H3
InChIKeyMORJGUNEQCSSEB-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.18
Rot. Bonds4

About 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one

2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one (PubChem CID 43160270) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one.

Molecular Properties

Compound Name2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
PubChem CID43160270
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
SMILESCCCC(C)C(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H22O/c1-3-6-12(2)16(17)15-10-9-13-7-4-5-8-14(13)11-15/h9-12H,3-8H2,1-2H3
InChIKeyMORJGUNEQCSSEB-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

(2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(ethylamino)pentan-1-one
CID 125181304
1-(2,3-dihydro-1H-isoindol-5-yl)-2-methylpentan-1-one
CID 107890429
8-(2-methylpentanoyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525386
2-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)butanoic acid
CID 116922813
3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 114873964
1-(2,3-dihydro-1H-inden-5-yl)-2-(propylamino)propan-1-one
CID 82101131
2-[[1-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]amino]butanoic acid
CID 82100355
3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)butanoic acid
CID 116922913
2-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)butanenitrile
CID 116923667
2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
CID 171323399
2-methyl-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 70167994
1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one
CID 114873977

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one?
The IUPAC name of 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one (CID 43160270) is 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one.
What is the SMILES notation for 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one?
The canonical SMILES for 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one is CCCC(C)C(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one?
The InChIKey is MORJGUNEQCSSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-3-6-12(2)16(17)15-10-9-13-7-4-5-8-14(13)11-15/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one?
2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one has a molecular weight of 230.35 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one is sourced from PubChem (CID 43160270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).