6-ethoxy-2-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene

C24H36O2 — CID 22383388

IUPAC6-ethoxy-2-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCCOc1ccc2c(c1)CCC(C1CCC3CC(OCC)CCC3C1)C2
InChIInChI=1S/C24H36O2/c1-3-25-23-11-9-19-13-17(5-7-21(19)15-23)18-6-8-22-16-24(26-4-2)12-10-20(22)14-18/h9,11,15,17-18,20,22,24H,3-8,10,12-14,16H2,1-2H3
InChIKeyCGGRDDUNLUMAMJ-UHFFFAOYSA-N
MW356.55 g/mol
LogP5.81
Rot. Bonds5

About 6-ethoxy-2-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene

6-ethoxy-2-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 22383388) has the molecular formula C24H36O2 and a molecular weight of 356.55 g/mol. Its IUPAC name is 6-ethoxy-2-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-ethoxy-2-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
PubChem CID22383388
Molecular FormulaC24H36O2
Molecular Weight356.55 g/mol
Exact Mass356.27
IUPAC Name6-ethoxy-2-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCCOc1ccc2c(c1)CCC(C1CCC3CC(OCC)CCC3C1)C2
InChIInChI=1S/C24H36O2/c1-3-25-23-11-9-19-13-17(5-7-21(19)15-23)18-6-8-22-16-24(26-4-2)12-10-20(22)14-18/h9,11,15,17-18,20,22,24H,3-8,10,12-14,16H2,1-2H3
InChIKeyCGGRDDUNLUMAMJ-UHFFFAOYSA-N
XLogP5.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-ethoxy-2-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene (CID 22383388) is 6-ethoxy-2-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-ethoxy-2-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-ethoxy-2-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene is CCOc1ccc2c(c1)CCC(C1CCC3CC(OCC)CCC3C1)C2.
What is the InChIKey of 6-ethoxy-2-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is CGGRDDUNLUMAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O2/c1-3-25-23-11-9-19-13-17(5-7-21(19)15-23)18-6-8-22-16-24(26-4-2)12-10-20(22)14-18/h9,11,15,17-18,20,22,24H,3-8,10,12-14,16H2,1-2H3.
What are the key properties of 6-ethoxy-2-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene?
6-ethoxy-2-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 356.55 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 22383388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).