5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-2-one

C19H28O — CID 70003247

IUPAC5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-2-one
SMILESCC(=O)CCCc1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C19H28O/c1-14(20)7-6-8-15-9-10-16-17(13-15)19(4,5)12-11-18(16,2)3/h9-10,13H,6-8,11-12H2,1-5H3
InChIKeyVJOBCCOUSZFKPM-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.95
Rot. Bonds4

About 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-2-one

5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-2-one (PubChem CID 70003247) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-2-one.

Molecular Properties

Compound Name5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-2-one
PubChem CID70003247
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-2-one
SMILESCC(=O)CCCc1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C19H28O/c1-14(20)7-6-8-15-9-10-16-17(13-15)19(4,5)12-11-18(16,2)3/h9-10,13H,6-8,11-12H2,1-5H3
InChIKeyVJOBCCOUSZFKPM-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-2-one?
The IUPAC name of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-2-one (CID 70003247) is 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-2-one.
What is the SMILES notation for 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-2-one?
The canonical SMILES for 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-2-one is CC(=O)CCCc1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-2-one?
The InChIKey is VJOBCCOUSZFKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-14(20)7-6-8-15-9-10-16-17(13-15)19(4,5)12-11-18(16,2)3/h9-10,13H,6-8,11-12H2,1-5H3.
What are the key properties of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-2-one?
5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-2-one has a molecular weight of 272.43 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-2-one is sourced from PubChem (CID 70003247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).