1-(1,6-dimethyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C17H24O — CID 615177

IUPAC1-(1,6-dimethyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCC(=O)c1cc(C(C)C)c2c(c1C)CCC(C)C2
InChIInChI=1S/C17H24O/c1-10(2)15-9-16(13(5)18)12(4)14-7-6-11(3)8-17(14)15/h9-11H,6-8H2,1-5H3
InChIKeyHMBNEDONTNHLDW-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.45
Rot. Bonds2

About 1-(1,6-dimethyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

1-(1,6-dimethyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 615177) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(1,6-dimethyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,6-dimethyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID615177
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-(1,6-dimethyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCC(=O)c1cc(C(C)C)c2c(c1C)CCC(C)C2
InChIInChI=1S/C17H24O/c1-10(2)15-9-16(13(5)18)12(4)14-7-6-11(3)8-17(14)15/h9-11H,6-8H2,1-5H3
InChIKeyHMBNEDONTNHLDW-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5,6,7,8-pentamethyl-1,2,3,4-tetrahydronaphthalene
CID 22888683
ethane;2-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 143482609
propan-2-yl 2-acetamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2862694
1,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 130033796
1-(5-ethyl-2-propan-2-ylphenyl)ethanone
CID 117281997
1-(8-ethyl-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 54453058
ethyl 6-methyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 164749425
ethyl 2-[(6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate
CID 67613778
2-[cyclopropyl-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]propanoic acid
CID 119203461
(6R)-6-methyl-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 942776
(6R)-N-(3-acetylphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2146391
propan-2-yl (6S)-6-methyl-2-[(2-methylfuran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1022761

Frequently Asked Questions

What is the IUPAC name of 1-(1,6-dimethyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-(1,6-dimethyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 615177) is 1-(1,6-dimethyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(1,6-dimethyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(1,6-dimethyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is CC(=O)c1cc(C(C)C)c2c(c1C)CCC(C)C2.
What is the InChIKey of 1-(1,6-dimethyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is HMBNEDONTNHLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-10(2)15-9-16(13(5)18)12(4)14-7-6-11(3)8-17(14)15/h9-11H,6-8H2,1-5H3.
What are the key properties of 1-(1,6-dimethyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
1-(1,6-dimethyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 244.38 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-dimethyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 615177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).