1-(5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-naphthalen-1-yl)ethanone

C17H24O — CID 10444533

IUPAC1-(5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-naphthalen-1-yl)ethanone
SMILESCC(=O)c1cc(C(C)C)cc2c1CCCC2(C)C
InChIInChI=1S/C17H24O/c1-11(2)13-9-15(12(3)18)14-7-6-8-17(4,5)16(14)10-13/h9-11H,6-8H2,1-5H3
InChIKeyOKPIBWXRBVGBMS-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.63
Rot. Bonds2

About 1-(5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-naphthalen-1-yl)ethanone

1-(5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-naphthalen-1-yl)ethanone (PubChem CID 10444533) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-naphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-(5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-naphthalen-1-yl)ethanone
PubChem CID10444533
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-(5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-naphthalen-1-yl)ethanone
SMILESCC(=O)c1cc(C(C)C)cc2c1CCCC2(C)C
InChIInChI=1S/C17H24O/c1-11(2)13-9-15(12(3)18)14-7-6-8-17(4,5)16(14)10-13/h9-11H,6-8H2,1-5H3
InChIKeyOKPIBWXRBVGBMS-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-naphthalen-1-yl)ethanone?
The IUPAC name of 1-(5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-naphthalen-1-yl)ethanone (CID 10444533) is 1-(5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-naphthalen-1-yl)ethanone.
What is the SMILES notation for 1-(5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-naphthalen-1-yl)ethanone?
The canonical SMILES for 1-(5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-naphthalen-1-yl)ethanone is CC(=O)c1cc(C(C)C)cc2c1CCCC2(C)C.
What is the InChIKey of 1-(5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-naphthalen-1-yl)ethanone?
The InChIKey is OKPIBWXRBVGBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-11(2)13-9-15(12(3)18)14-7-6-8-17(4,5)16(14)10-13/h9-11H,6-8H2,1-5H3.
What are the key properties of 1-(5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-naphthalen-1-yl)ethanone?
1-(5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-naphthalen-1-yl)ethanone has a molecular weight of 244.38 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-3-propan-2-yl-7,8-dihydro-6H-naphthalen-1-yl)ethanone is sourced from PubChem (CID 10444533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).