ethane;1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone

C15H22O — CID 142131877

IUPACethane;1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
SMILESCC.CC(=O)C1CCc2ccc(C)cc2C1
InChIInChI=1S/C13H16O.C2H6/c1-9-3-4-11-5-6-12(10(2)14)8-13(11)7-9;1-2/h3-4,7,12H,5-6,8H2,1-2H3;1-2H3
InChIKeyUMIAKMQSOHYKNN-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.72
Rot. Bonds1

About ethane;1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone

ethane;1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 142131877) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is ethane;1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
PubChem CID142131877
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Nameethane;1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
SMILESCC.CC(=O)C1CCc2ccc(C)cc2C1
InChIInChI=1S/C13H16O.C2H6/c1-9-3-4-11-5-6-12(10(2)14)8-13(11)7-9;1-2/h3-4,7,12H,5-6,8H2,1-2H3;1-2H3
InChIKeyUMIAKMQSOHYKNN-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of ethane;1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone (CID 142131877) is ethane;1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for ethane;1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for ethane;1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone is CC.CC(=O)C1CCc2ccc(C)cc2C1.
What is the InChIKey of ethane;1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is UMIAKMQSOHYKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O.C2H6/c1-9-3-4-11-5-6-12(10(2)14)8-13(11)7-9;1-2/h3-4,7,12H,5-6,8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
ethane;1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 218.34 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 142131877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).