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

C15H24O — CID 148668363

IUPAC(4R,6R)-6-tert-butyl-4-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
SMILESC[C@@H]1CC(=O)C=C2CC[C@@H](C(C)(C)C)CC21
InChIInChI=1S/C15H24O/c1-10-7-13(16)8-11-5-6-12(9-14(10)11)15(2,3)4/h8,10,12,14H,5-7,9H2,1-4H3/t10-,12-,14?/m1/s1
InChIKeyNPEWVIACCSYRRQ-RMPUTMTLSA-N
MW220.36 g/mol
LogP3.98
Rot. Bonds

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

(4R,6R)-6-tert-butyl-4-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one (PubChem CID 148668363) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (4R,6R)-6-tert-butyl-4-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one.

Molecular Properties

Compound Name(4R,6R)-6-tert-butyl-4-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
PubChem CID148668363
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(4R,6R)-6-tert-butyl-4-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
SMILESC[C@@H]1CC(=O)C=C2CC[C@@H](C(C)(C)C)CC21
InChIInChI=1S/C15H24O/c1-10-7-13(16)8-11-5-6-12(9-14(10)11)15(2,3)4/h8,10,12,14H,5-7,9H2,1-4H3/t10-,12-,14?/m1/s1
InChIKeyNPEWVIACCSYRRQ-RMPUTMTLSA-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

Analyze (4R,6R)-6-tert-butyl-4-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one with MolForge

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Related Compounds

6-tert-butyl-3-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
CID 66646134
5,7-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
CID 130037426
4-tert-butylcyclohexan-1-one
CID 7392
cis-(2R,4S)-4-tert-butyl-2-fluorocyclohexan-1-one
CID 11030299
cis-(2S,4R)-4-tert-butyl-2-chlorocyclohexan-1-one
CID 641779
(2R)-4-tert-butyl-2-fluorocyclohexan-1-one
CID 131115898
7-ethyl-1,2,3,6,7,7a-hexahydroinden-5-one
CID 54442326
(7R,7aS)-7-ethyl-1,4,5,6,7,7a-hexahydroinden-2-one
CID 124661281
5-tert-butyl-2-methylcycloheptan-1-one
CID 73120802
(4bS)-7-propyl-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3H-phenanthren-2-one
CID 58650682
(8S,8aR)-8-ethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-2-one
CID 100957266
(8R,9S,10R,13S,14S)-1,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 70167829

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-tert-butyl-4-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one?
The IUPAC name of (4R,6R)-6-tert-butyl-4-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one (CID 148668363) is (4R,6R)-6-tert-butyl-4-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one.
What is the SMILES notation for (4R,6R)-6-tert-butyl-4-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one?
The canonical SMILES for (4R,6R)-6-tert-butyl-4-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one is C[C@@H]1CC(=O)C=C2CC[C@@H](C(C)(C)C)CC21.
What is the InChIKey of (4R,6R)-6-tert-butyl-4-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one?
The InChIKey is NPEWVIACCSYRRQ-RMPUTMTLSA-N. The full InChI is InChI=1S/C15H24O/c1-10-7-13(16)8-11-5-6-12(9-14(10)11)15(2,3)4/h8,10,12,14H,5-7,9H2,1-4H3/t10-,12-,14?/m1/s1.
What are the key properties of (4R,6R)-6-tert-butyl-4-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one?
(4R,6R)-6-tert-butyl-4-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 (4R,6R)-6-tert-butyl-4-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one is sourced from PubChem (CID 148668363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).