ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C14H20O — CID 123573357

IUPACethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCC.CC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C12H14O.C2H6/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11;1-2/h6-8H,2-5H2,1H3;1-2H3
InChIKeyGZGPURYZMNIRLX-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.79
Rot. Bonds1

About ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 123573357) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID123573357
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Nameethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCC.CC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C12H14O.C2H6/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11;1-2/h6-8H,2-5H2,1H3;1-2H3
InChIKeyGZGPURYZMNIRLX-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone
CID 67161719
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene
CID 155718260
5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone
CID 155718370
1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone
CID 43330702
7-acetyl-3,4-dihydro-2H-naphthalen-1-one
CID 54195655
6-acetyl-3,4-dihydro-2H-naphthalen-1-one
CID 54156435
tert-butyl 7-acetyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 18173273
2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 116830081
(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 7763733

Frequently Asked Questions

What is the IUPAC name of ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 123573357) is ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is CC.CC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is GZGPURYZMNIRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O.C2H6/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11;1-2/h6-8H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 204.31 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 123573357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).