5-butyl-4a,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one

C16H24O — CID 70995371

IUPAC5-butyl-4a,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
SMILESCCCCC1C(C)CCC2=CC(=O)C=CC21C
InChIInChI=1S/C16H24O/c1-4-5-6-15-12(2)7-8-13-11-14(17)9-10-16(13,15)3/h9-12,15H,4-8H2,1-3H3
InChIKeyNEXWOXYPUCIDNF-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.29
Rot. Bonds3

About 5-butyl-4a,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one

5-butyl-4a,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one (PubChem CID 70995371) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-butyl-4a,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one.

Molecular Properties

Compound Name5-butyl-4a,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
PubChem CID70995371
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name5-butyl-4a,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
SMILESCCCCC1C(C)CCC2=CC(=O)C=CC21C
InChIInChI=1S/C16H24O/c1-4-5-6-15-12(2)7-8-13-11-14(17)9-10-16(13,15)3/h9-12,15H,4-8H2,1-3H3
InChIKeyNEXWOXYPUCIDNF-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-butyl-4a,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-one
CID 15882108
acetylene;trans-methyl (1R,2R)-4-[(8aR)-1-butyl-8a-methyl-6-oxo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylcyclopentane-1-carboxylate
CID 143220872
5-[(4R)-6-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-4-ethyl-4-hydroxy-3-methyl-5-oxohexyl]-4a,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
CID 70995377
(4aR)-4a-methyl-5,6-di(propan-2-yl)-5,6,7,8-tetrahydronaphthalen-2-one
CID 59842309
(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 22850613
(8S,9S,10R,13R,14S,17R)-17-(3-hydroxypropyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 148548021
(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 121225309
(8S,9S,10R,13R,14S)-10,13,17-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 154118159
(8R,10R,13S,17S)-17-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 46780880
(2R,14S)-16-hydroxy-2,12,14-trimethyltetracyclo[8.6.0.02,7.011,14]hexadeca-3,6-diene-5,13-dione
CID 145003611
(8R,9S,10S,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
CID 12882269
(8S,9S,10R,13R,14S,16S)-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 57179209

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4a,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one?
The IUPAC name of 5-butyl-4a,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one (CID 70995371) is 5-butyl-4a,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one.
What is the SMILES notation for 5-butyl-4a,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one?
The canonical SMILES for 5-butyl-4a,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one is CCCCC1C(C)CCC2=CC(=O)C=CC21C.
What is the InChIKey of 5-butyl-4a,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one?
The InChIKey is NEXWOXYPUCIDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-4-5-6-15-12(2)7-8-13-11-14(17)9-10-16(13,15)3/h9-12,15H,4-8H2,1-3H3.
What are the key properties of 5-butyl-4a,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one?
5-butyl-4a,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one has a molecular weight of 232.37 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4a,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one is sourced from PubChem (CID 70995371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).