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

C16H22O — CID 54453058

IUPAC1-(8-ethyl-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCCC1CCCc2c(C)cc(C(C)=O)c(C)c21
InChIInChI=1S/C16H22O/c1-5-13-7-6-8-14-10(2)9-15(12(4)17)11(3)16(13)14/h9,13H,5-8H2,1-4H3
InChIKeyWUNRKPJVKVUGRN-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.34
Rot. Bonds2

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

1-(8-ethyl-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 54453058) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(8-ethyl-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(8-ethyl-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID54453058
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-(8-ethyl-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCCC1CCCc2c(C)cc(C(C)=O)c(C)c21
InChIInChI=1S/C16H22O/c1-5-13-7-6-8-14-10(2)9-15(12(4)17)11(3)16(13)14/h9,13H,5-8H2,1-4H3
InChIKeyWUNRKPJVKVUGRN-UHFFFAOYSA-N
XLogP4.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 83234010
N-[(Z)-(2-ethylcyclopentylidene)amino]-2-methylbenzamide
CID 6079142
2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide
CID 82082244
ethyl 2-(2-ethylcyclopentylidene)propanoate
CID 104865535
1-[3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methyl]phenyl]ethanone
CID 171357712
1-(1,6-dimethyl-4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 615177
1-[5-chloro-3-[cyclopentylmethyl(ethyl)amino]-2-methylphenyl]ethanone
CID 129109141
ethyl 6-ethyl-2-hydroxycyclohexene-1-carboxylate
CID 54719584
1-[2,4-dimethyl-3-(3-methylcyclohex-2-en-1-yl)-6-propylphenyl]ethanone
CID 167097677
1-(6-methyl-2,3-dihydro-1H-inden-5-yl)ethanone
CID 58928828
N-[(2-ethylcyclopentylidene)amino]-2-methylfuran-3-carboxamide
CID 3716947
(4-bromo-5-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl) 2,2-dimethylpropanoate
CID 167468968

Frequently Asked Questions

What is the IUPAC name of 1-(8-ethyl-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-(8-ethyl-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 54453058) is 1-(8-ethyl-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(8-ethyl-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(8-ethyl-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is CCC1CCCc2c(C)cc(C(C)=O)c(C)c21.
What is the InChIKey of 1-(8-ethyl-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is WUNRKPJVKVUGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-5-13-7-6-8-14-10(2)9-15(12(4)17)11(3)16(13)14/h9,13H,5-8H2,1-4H3.
What are the key properties of 1-(8-ethyl-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
1-(8-ethyl-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 230.35 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-ethyl-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 54453058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).