1-(3-ethyl-5,5,6,6-tetramethyl-7,8-dihydronaphthalen-2-yl)ethanone

C18H26O — CID 70116612

IUPAC1-(3-ethyl-5,5,6,6-tetramethyl-7,8-dihydronaphthalen-2-yl)ethanone
SMILESCCc1cc2c(cc1C(C)=O)CCC(C)(C)C2(C)C
InChIInChI=1S/C18H26O/c1-7-13-11-16-14(10-15(13)12(2)19)8-9-17(3,4)18(16,5)6/h10-11H,7-9H2,1-6H3
InChIKeyFUSIQIVIDIKRJW-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.70
Rot. Bonds2

About 1-(3-ethyl-5,5,6,6-tetramethyl-7,8-dihydronaphthalen-2-yl)ethanone

1-(3-ethyl-5,5,6,6-tetramethyl-7,8-dihydronaphthalen-2-yl)ethanone (PubChem CID 70116612) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-(3-ethyl-5,5,6,6-tetramethyl-7,8-dihydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-5,5,6,6-tetramethyl-7,8-dihydronaphthalen-2-yl)ethanone
PubChem CID70116612
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-(3-ethyl-5,5,6,6-tetramethyl-7,8-dihydronaphthalen-2-yl)ethanone
SMILESCCc1cc2c(cc1C(C)=O)CCC(C)(C)C2(C)C
InChIInChI=1S/C18H26O/c1-7-13-11-16-14(10-15(13)12(2)19)8-9-17(3,4)18(16,5)6/h10-11H,7-9H2,1-6H3
InChIKeyFUSIQIVIDIKRJW-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-5,5,6,6-tetramethyl-7,8-dihydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-(3-ethyl-5,5,6,6-tetramethyl-7,8-dihydronaphthalen-2-yl)ethanone (CID 70116612) is 1-(3-ethyl-5,5,6,6-tetramethyl-7,8-dihydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(3-ethyl-5,5,6,6-tetramethyl-7,8-dihydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(3-ethyl-5,5,6,6-tetramethyl-7,8-dihydronaphthalen-2-yl)ethanone is CCc1cc2c(cc1C(C)=O)CCC(C)(C)C2(C)C.
What is the InChIKey of 1-(3-ethyl-5,5,6,6-tetramethyl-7,8-dihydronaphthalen-2-yl)ethanone?
The InChIKey is FUSIQIVIDIKRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-7-13-11-16-14(10-15(13)12(2)19)8-9-17(3,4)18(16,5)6/h10-11H,7-9H2,1-6H3.
What are the key properties of 1-(3-ethyl-5,5,6,6-tetramethyl-7,8-dihydronaphthalen-2-yl)ethanone?
1-(3-ethyl-5,5,6,6-tetramethyl-7,8-dihydronaphthalen-2-yl)ethanone has a molecular weight of 258.40 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-5,5,6,6-tetramethyl-7,8-dihydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 70116612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).