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

C26H40 — CID 139864792

IUPAC2-propyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCC1CCc2cc(C3CCC4CC(CCC)CCC4C3)ccc2C1
InChIInChI=1S/C26H40/c1-3-5-19-7-9-23-17-25(13-11-21(23)15-19)26-14-12-22-16-20(6-4-2)8-10-24(22)18-26/h11,13,17,19-20,22,24,26H,3-10,12,14-16,18H2,1-2H3
InChIKeyDFBLKPLBYFTQMO-UHFFFAOYSA-N
MW352.61 g/mol
LogP7.69
Rot. Bonds5

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

2-propyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139864792) has the molecular formula C26H40 and a molecular weight of 352.61 g/mol. Its IUPAC name is 2-propyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-propyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139864792
Molecular FormulaC26H40
Molecular Weight352.61 g/mol
Exact Mass352.31
IUPAC Name2-propyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCC1CCc2cc(C3CCC4CC(CCC)CCC4C3)ccc2C1
InChIInChI=1S/C26H40/c1-3-5-19-7-9-23-17-25(13-11-21(23)15-19)26-14-12-22-16-20(6-4-2)8-10-24(22)18-26/h11,13,17,19-20,22,24,26H,3-10,12,14-16,18H2,1-2H3
InChIKeyDFBLKPLBYFTQMO-UHFFFAOYSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Related Compounds

2-butyl-6-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865614
6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139865826
2-hexyl-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865964
2-butyl-6-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 20500349
6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 20500738
7-fluoro-2-pentyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865061
6-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139865642
(2R,4aR,6R,8aR)-2-(4-fluorophenyl)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809899
8-fluoro-2-methyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865687
2-ethyl-6-(4-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 20500147
7-fluoro-6-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139864767
2-butyl-7-fluoro-6-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865070

Frequently Asked Questions

What is the IUPAC name of 2-propyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-propyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene (CID 139864792) is 2-propyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-propyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-propyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene is CCCC1CCc2cc(C3CCC4CC(CCC)CCC4C3)ccc2C1.
What is the InChIKey of 2-propyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is DFBLKPLBYFTQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40/c1-3-5-19-7-9-23-17-25(13-11-21(23)15-19)26-14-12-22-16-20(6-4-2)8-10-24(22)18-26/h11,13,17,19-20,22,24,26H,3-10,12,14-16,18H2,1-2H3.
What are the key properties of 2-propyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene?
2-propyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 352.61 g/mol, XLogP of 7.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139864792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).