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

C13H22O2 — CID 90838413

IUPAC3-ethyl-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
SMILESCCC1CC(=O)C2CC(OC)CCC2C1
InChIInChI=1S/C13H22O2/c1-3-9-6-10-4-5-11(15-2)8-12(10)13(14)7-9/h9-12H,3-8H2,1-2H3
InChIKeyOSNSSMVWQQIYDS-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.81
Rot. Bonds2

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

3-ethyl-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one (PubChem CID 90838413) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-ethyl-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name3-ethyl-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
PubChem CID90838413
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-ethyl-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
SMILESCCC1CC(=O)C2CC(OC)CCC2C1
InChIInChI=1S/C13H22O2/c1-3-9-6-10-4-5-11(15-2)8-12(10)13(14)7-9/h9-12H,3-8H2,1-2H3
InChIKeyOSNSSMVWQQIYDS-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-7-methoxy-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

4-ethyl-2-(3-methoxycyclohexyl)cyclohexan-1-one
CID 79416599
(1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one
CID 15262519
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
1-cyclopropyl-3-ethylcyclobutane
CID 123813009
4-(4-methoxycyclohexyl)cyclohexan-1-one
CID 22492944
2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58695351
propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
CID 144913031
5-ethyl-2-hydroxycyclohexan-1-one
CID 89053782
(1S,3S)-3-ethylbicyclo[4.1.0]heptane
CID 143706776
trans-(3R,5R)-3,5-dimethoxycyclohexan-1-one
CID 22213714
(1R)-3-(bromomethyl)bicyclo[3.2.0]heptan-6-one;methane
CID 142304143
(1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one
CID 10654411

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one?
The IUPAC name of 3-ethyl-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one (CID 90838413) is 3-ethyl-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one.
What is the SMILES notation for 3-ethyl-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one?
The canonical SMILES for 3-ethyl-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one is CCC1CC(=O)C2CC(OC)CCC2C1.
What is the InChIKey of 3-ethyl-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one?
The InChIKey is OSNSSMVWQQIYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-9-6-10-4-5-11(15-2)8-12(10)13(14)7-9/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one?
3-ethyl-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one has a molecular weight of 210.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one is sourced from PubChem (CID 90838413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).