7-methoxy-5,5-dimethyl-3,4,4a,6-tetrahydronaphthalen-2-one

C13H18O2 — CID 69432006

IUPAC7-methoxy-5,5-dimethyl-3,4,4a,6-tetrahydronaphthalen-2-one
SMILESCOC1=CC2=CC(=O)CCC2C(C)(C)C1
InChIInChI=1S/C13H18O2/c1-13(2)8-11(15-3)7-9-6-10(14)4-5-12(9)13/h6-7,12H,4-5,8H2,1-3H3
InChIKeyVDBZXUWXACWULS-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.85
Rot. Bonds1

About 7-methoxy-5,5-dimethyl-3,4,4a,6-tetrahydronaphthalen-2-one

7-methoxy-5,5-dimethyl-3,4,4a,6-tetrahydronaphthalen-2-one (PubChem CID 69432006) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 7-methoxy-5,5-dimethyl-3,4,4a,6-tetrahydronaphthalen-2-one.

Molecular Properties

Compound Name7-methoxy-5,5-dimethyl-3,4,4a,6-tetrahydronaphthalen-2-one
PubChem CID69432006
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name7-methoxy-5,5-dimethyl-3,4,4a,6-tetrahydronaphthalen-2-one
SMILESCOC1=CC2=CC(=O)CCC2C(C)(C)C1
InChIInChI=1S/C13H18O2/c1-13(2)8-11(15-3)7-9-6-10(14)4-5-12(9)13/h6-7,12H,4-5,8H2,1-3H3
InChIKeyVDBZXUWXACWULS-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methoxy-5,5-dimethyl-3,4,4a,6-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

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5,5-dimethyl-3,4,4a,6-tetrahydronaphthalen-2-one?
The IUPAC name of 7-methoxy-5,5-dimethyl-3,4,4a,6-tetrahydronaphthalen-2-one (CID 69432006) is 7-methoxy-5,5-dimethyl-3,4,4a,6-tetrahydronaphthalen-2-one.
What is the SMILES notation for 7-methoxy-5,5-dimethyl-3,4,4a,6-tetrahydronaphthalen-2-one?
The canonical SMILES for 7-methoxy-5,5-dimethyl-3,4,4a,6-tetrahydronaphthalen-2-one is COC1=CC2=CC(=O)CCC2C(C)(C)C1.
What is the InChIKey of 7-methoxy-5,5-dimethyl-3,4,4a,6-tetrahydronaphthalen-2-one?
The InChIKey is VDBZXUWXACWULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2)8-11(15-3)7-9-6-10(14)4-5-12(9)13/h6-7,12H,4-5,8H2,1-3H3.
What are the key properties of 7-methoxy-5,5-dimethyl-3,4,4a,6-tetrahydronaphthalen-2-one?
7-methoxy-5,5-dimethyl-3,4,4a,6-tetrahydronaphthalen-2-one has a molecular weight of 206.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5,5-dimethyl-3,4,4a,6-tetrahydronaphthalen-2-one is sourced from PubChem (CID 69432006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).