1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C12H22O2 — CID 175940017

IUPAC1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCOC1CCCC2CCCC(OC)C21
InChIInChI=1S/C12H22O2/c1-13-10-7-3-5-9-6-4-8-11(14-2)12(9)10/h9-12H,3-8H2,1-2H3
InChIKeySDYPDIJSGAPYAS-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.62
Rot. Bonds2

About 1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 175940017) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID175940017
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCOC1CCCC2CCCC(OC)C21
InChIInChI=1S/C12H22O2/c1-13-10-7-3-5-9-6-4-8-11(14-2)12(9)10/h9-12H,3-8H2,1-2H3
InChIKeySDYPDIJSGAPYAS-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene 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 1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 175940017) is 1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is COC1CCCC2CCCC(OC)C21.
What is the InChIKey of 1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is SDYPDIJSGAPYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-13-10-7-3-5-9-6-4-8-11(14-2)12(9)10/h9-12H,3-8H2,1-2H3.
What are the key properties of 1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 198.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 175940017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).