2,3-diethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one

C14H24O — CID 143415964

IUPAC2,3-diethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
SMILESCCC1CC2CCCCC2C(=O)C1CC
InChIInChI=1S/C14H24O/c1-3-10-9-11-7-5-6-8-13(11)14(15)12(10)4-2/h10-13H,3-9H2,1-2H3
InChIKeyDVQQSRBVFQBASR-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.82
Rot. Bonds2

About 2,3-diethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one

2,3-diethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one (PubChem CID 143415964) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2,3-diethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2,3-diethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
PubChem CID143415964
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2,3-diethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
SMILESCCC1CC2CCCCC2C(=O)C1CC
InChIInChI=1S/C14H24O/c1-3-10-9-11-7-5-6-8-13(11)14(15)12(10)4-2/h10-13H,3-9H2,1-2H3
InChIKeyDVQQSRBVFQBASR-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3-diethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-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

(1S,3S,5R,8R)-tricyclo[6.4.0.03,5]dodecan-2-one
CID 132503865
trans-(2S,6S)-2,6-dicyclohexylcyclohexan-1-one
CID 36691423
1,3-diethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one
CID 18402294
(3aR,9aS)-3,3a,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-4-one;ethane
CID 142000455
ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143769708
2-cycloheptyl-7-methylcycloheptan-1-one
CID 154083547
8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one
CID 56638242
2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142876945
2-(2-ethylcyclohexyl)cycloheptan-1-one
CID 63861686
(8R)-3-(methylamino)bicyclo[6.1.0]nonan-2-one
CID 142060892
1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene
CID 22973488
3-ethyl-3a,4,5,6,7,8,9,10,11,12-decahydro-3H-cyclopenta[11]annulen-2-one
CID 18402424

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one?
The IUPAC name of 2,3-diethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one (CID 143415964) is 2,3-diethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one.
What is the SMILES notation for 2,3-diethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one?
The canonical SMILES for 2,3-diethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one is CCC1CC2CCCCC2C(=O)C1CC.
What is the InChIKey of 2,3-diethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one?
The InChIKey is DVQQSRBVFQBASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-3-10-9-11-7-5-6-8-13(11)14(15)12(10)4-2/h10-13H,3-9H2,1-2H3.
What are the key properties of 2,3-diethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one?
2,3-diethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one has a molecular weight of 208.34 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one is sourced from PubChem (CID 143415964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).