(8aS)-6-ethoxy-8a-methyl-2,3,7,8-tetrahydronaphthalen-1-one

C13H18O2 — CID 95004318

IUPAC(8aS)-6-ethoxy-8a-methyl-2,3,7,8-tetrahydronaphthalen-1-one
SMILESCCOC1=CC2=CCCC(=O)[C@@]2(C)CC1
InChIInChI=1S/C13H18O2/c1-3-15-11-7-8-13(2)10(9-11)5-4-6-12(13)14/h5,9H,3-4,6-8H2,1-2H3/t13-/m0/s1
InChIKeyHYQXAZBTBKVAIM-ZDUSSCGKSA-N
MW206.28 g/mol
LogP3.00
Rot. Bonds2

About (8aS)-6-ethoxy-8a-methyl-2,3,7,8-tetrahydronaphthalen-1-one

(8aS)-6-ethoxy-8a-methyl-2,3,7,8-tetrahydronaphthalen-1-one (PubChem CID 95004318) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (8aS)-6-ethoxy-8a-methyl-2,3,7,8-tetrahydronaphthalen-1-one.

Molecular Properties

Compound Name(8aS)-6-ethoxy-8a-methyl-2,3,7,8-tetrahydronaphthalen-1-one
PubChem CID95004318
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(8aS)-6-ethoxy-8a-methyl-2,3,7,8-tetrahydronaphthalen-1-one
SMILESCCOC1=CC2=CCCC(=O)[C@@]2(C)CC1
InChIInChI=1S/C13H18O2/c1-3-15-11-7-8-13(2)10(9-11)5-4-6-12(13)14/h5,9H,3-4,6-8H2,1-2H3/t13-/m0/s1
InChIKeyHYQXAZBTBKVAIM-ZDUSSCGKSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8aS)-6-ethoxy-8a-methyl-2,3,7,8-tetrahydronaphthalen-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

Frequently Asked Questions

What is the IUPAC name of (8aS)-6-ethoxy-8a-methyl-2,3,7,8-tetrahydronaphthalen-1-one?
The IUPAC name of (8aS)-6-ethoxy-8a-methyl-2,3,7,8-tetrahydronaphthalen-1-one (CID 95004318) is (8aS)-6-ethoxy-8a-methyl-2,3,7,8-tetrahydronaphthalen-1-one.
What is the SMILES notation for (8aS)-6-ethoxy-8a-methyl-2,3,7,8-tetrahydronaphthalen-1-one?
The canonical SMILES for (8aS)-6-ethoxy-8a-methyl-2,3,7,8-tetrahydronaphthalen-1-one is CCOC1=CC2=CCCC(=O)[C@@]2(C)CC1.
What is the InChIKey of (8aS)-6-ethoxy-8a-methyl-2,3,7,8-tetrahydronaphthalen-1-one?
The InChIKey is HYQXAZBTBKVAIM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-15-11-7-8-13(2)10(9-11)5-4-6-12(13)14/h5,9H,3-4,6-8H2,1-2H3/t13-/m0/s1.
What are the key properties of (8aS)-6-ethoxy-8a-methyl-2,3,7,8-tetrahydronaphthalen-1-one?
(8aS)-6-ethoxy-8a-methyl-2,3,7,8-tetrahydronaphthalen-1-one has a molecular weight of 206.28 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-6-ethoxy-8a-methyl-2,3,7,8-tetrahydronaphthalen-1-one is sourced from PubChem (CID 95004318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).