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

C16H22O — CID 114873964

IUPAC3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
SMILESCCC(C)CC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H22O/c1-3-12(2)10-16(17)15-9-8-13-6-4-5-7-14(13)11-15/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyZIYWRWZJXTVIDJ-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.18
Rot. Bonds4

About 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one

3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one (PubChem CID 114873964) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one.

Molecular Properties

Compound Name3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
PubChem CID114873964
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
SMILESCCC(C)CC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H22O/c1-3-12(2)10-16(17)15-9-8-13-6-4-5-7-14(13)11-15/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyZIYWRWZJXTVIDJ-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

1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one
CID 114873977
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
2-methyl-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 70167994
4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-4-oxobutanoic acid
CID 20509536
2-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)butanoic acid
CID 116922813
2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 43160270
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
CID 82115674
2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82050708
2-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)butanenitrile
CID 116923667
2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 116830081
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one?
The IUPAC name of 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one (CID 114873964) is 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one.
What is the SMILES notation for 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one?
The canonical SMILES for 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one is CCC(C)CC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one?
The InChIKey is ZIYWRWZJXTVIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-3-12(2)10-16(17)15-9-8-13-6-4-5-7-14(13)11-15/h8-9,11-12H,3-7,10H2,1-2H3.
What are the key properties of 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one?
3-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 3-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one is sourced from PubChem (CID 114873964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).