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

C23H34O — CID 139866093

IUPAC2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCCC1CCC2CC(C3CCc4cc(OC)ccc4C3)CCC2C1
InChIInChI=1S/C23H34O/c1-3-16-4-5-18-13-19(7-6-17(18)12-16)20-8-9-22-15-23(24-2)11-10-21(22)14-20/h10-11,15-20H,3-9,12-14H2,1-2H3
InChIKeyFWNPJUOVWORZRP-UHFFFAOYSA-N
MW326.52 g/mol
LogP6.04
Rot. Bonds3

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

2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 139866093) has the molecular formula C23H34O and a molecular weight of 326.52 g/mol. Its IUPAC name is 2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID139866093
Molecular FormulaC23H34O
Molecular Weight326.52 g/mol
Exact Mass326.26
IUPAC Name2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCCC1CCC2CC(C3CCc4cc(OC)ccc4C3)CCC2C1
InChIInChI=1S/C23H34O/c1-3-16-4-5-18-13-19(7-6-17(18)12-16)20-8-9-22-15-23(24-2)11-10-21(22)14-20/h10-11,15-20H,3-9,12-14H2,1-2H3
InChIKeyFWNPJUOVWORZRP-UHFFFAOYSA-N
XLogP6.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

2-(6-but-3-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 22384630
2-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 22383259
6-(difluoromethoxy)-2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865265
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
6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139853135
2-(4-ethylcyclohexyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848969
2-[(6R,8aR)-6-but-3-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-hexoxy-1,2,3,4-tetrahydronaphthalene
CID 20808572
2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852543
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592
2-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-ethoxy-1,2,3,4-tetrahydronaphthalene
CID 22385331
6-butoxy-2-(6-hexoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 22385280
6-fluoro-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139866089

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene (CID 139866093) is 2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene is CCC1CCC2CC(C3CCc4cc(OC)ccc4C3)CCC2C1.
What is the InChIKey of 2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is FWNPJUOVWORZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O/c1-3-16-4-5-18-13-19(7-6-17(18)12-16)20-8-9-22-15-23(24-2)11-10-21(22)14-20/h10-11,15-20H,3-9,12-14H2,1-2H3.
What are the key properties of 2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene?
2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 326.52 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139866093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).