ethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one

C15H22O — CID 142087326

IUPACethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one
SMILESCC.Cc1ccc2c(c1)C(C)(C)CCC2=O
InChIInChI=1S/C13H16O.C2H6/c1-9-4-5-10-11(8-9)13(2,3)7-6-12(10)14;1-2/h4-5,8H,6-7H2,1-3H3;1-2H3
InChIKeyVJSIXJROFBNPTK-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.28
Rot. Bonds

About ethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one

ethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one (PubChem CID 142087326) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is ethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one.

Molecular Properties

Compound Nameethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one
PubChem CID142087326
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Nameethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one
SMILESCC.Cc1ccc2c(c1)C(C)(C)CCC2=O
InChIInChI=1S/C13H16O.C2H6/c1-9-4-5-10-11(8-9)13(2,3)7-6-12(10)14;1-2/h4-5,8H,6-7H2,1-3H3;1-2H3
InChIKeyVJSIXJROFBNPTK-UHFFFAOYSA-N
XLogP4.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one?
The IUPAC name of ethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one (CID 142087326) is ethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one.
What is the SMILES notation for ethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one?
The canonical SMILES for ethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one is CC.Cc1ccc2c(c1)C(C)(C)CCC2=O.
What is the InChIKey of ethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one?
The InChIKey is VJSIXJROFBNPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O.C2H6/c1-9-4-5-10-11(8-9)13(2,3)7-6-12(10)14;1-2/h4-5,8H,6-7H2,1-3H3;1-2H3.
What are the key properties of ethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one?
ethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one has a molecular weight of 218.34 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,4,6-trimethyl-2,3-dihydronaphthalen-1-one is sourced from PubChem (CID 142087326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).