6-tert-butyl-3-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one

C15H24O — CID 66646134

IUPAC6-tert-butyl-3-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
SMILESCC1CC2CC(C(C)(C)C)CCC2=CC1=O
InChIInChI=1S/C15H24O/c1-10-7-12-8-13(15(2,3)4)6-5-11(12)9-14(10)16/h9-10,12-13H,5-8H2,1-4H3
InChIKeyRSTXFDWAVZAIEI-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.98
Rot. Bonds

About 6-tert-butyl-3-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one

6-tert-butyl-3-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one (PubChem CID 66646134) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 6-tert-butyl-3-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one.

Molecular Properties

Compound Name6-tert-butyl-3-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
PubChem CID66646134
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name6-tert-butyl-3-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
SMILESCC1CC2CC(C(C)(C)C)CCC2=CC1=O
InChIInChI=1S/C15H24O/c1-10-7-12-8-13(15(2,3)4)6-5-11(12)9-14(10)16/h9-10,12-13H,5-8H2,1-4H3
InChIKeyRSTXFDWAVZAIEI-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one?
The IUPAC name of 6-tert-butyl-3-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one (CID 66646134) is 6-tert-butyl-3-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one.
What is the SMILES notation for 6-tert-butyl-3-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one?
The canonical SMILES for 6-tert-butyl-3-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one is CC1CC2CC(C(C)(C)C)CCC2=CC1=O.
What is the InChIKey of 6-tert-butyl-3-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one?
The InChIKey is RSTXFDWAVZAIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10-7-12-8-13(15(2,3)4)6-5-11(12)9-14(10)16/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of 6-tert-butyl-3-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one?
6-tert-butyl-3-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one has a molecular weight of 220.36 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one is sourced from PubChem (CID 66646134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).