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

C26H36F2 — CID 139866006

IUPAC6-but-3-enyl-2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCc1cc2c(c(F)c1F)CC(C1CCC3CC(CC)CCC3C1)CC2
InChIInChI=1S/C26H36F2/c1-3-5-6-23-15-22-12-11-21(16-24(22)26(28)25(23)27)20-10-9-18-13-17(4-2)7-8-19(18)14-20/h3,15,17-21H,1,4-14,16H2,2H3
InChIKeyDFRFMODZAVUDTI-UHFFFAOYSA-N
MW386.57 g/mol
LogP7.43
Rot. Bonds5

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

6-but-3-enyl-2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 139866006) has the molecular formula C26H36F2 and a molecular weight of 386.57 g/mol. Its IUPAC name is 6-but-3-enyl-2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-but-3-enyl-2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID139866006
Molecular FormulaC26H36F2
Molecular Weight386.57 g/mol
Exact Mass386.28
IUPAC Name6-but-3-enyl-2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCc1cc2c(c(F)c1F)CC(C1CCC3CC(CC)CCC3C1)CC2
InChIInChI=1S/C26H36F2/c1-3-5-6-23-15-22-12-11-21(16-24(22)26(28)25(23)27)20-10-9-18-13-17(4-2)7-8-19(18)14-20/h3,15,17-21H,1,4-14,16H2,2H3
InChIKeyDFRFMODZAVUDTI-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.57
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

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Related Compounds

6-but-3-enyl-7,8-difluoro-2-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865907
6-but-3-enyl-5,7-difluoro-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139864787
6-[2-(3,4-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 130347361
6-[(2R,4aR)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene
CID 20807793
6-but-3-enyl-5,7-difluoro-2-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865771
2-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohexyl]-6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139869023
6-but-3-enyl-2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,8-trifluoronaphthalene
CID 22383125
2-[4-(4-but-3-enyl-2,3-difluorophenyl)cyclohexyl]-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866782
6-ethyl-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 130370166
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-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 139866093
2-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-5-fluoro-6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139865912

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enyl-2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-but-3-enyl-2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalene (CID 139866006) is 6-but-3-enyl-2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-but-3-enyl-2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-but-3-enyl-2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalene is C=CCCc1cc2c(c(F)c1F)CC(C1CCC3CC(CC)CCC3C1)CC2.
What is the InChIKey of 6-but-3-enyl-2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is DFRFMODZAVUDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36F2/c1-3-5-6-23-15-22-12-11-21(16-24(22)26(28)25(23)27)20-10-9-18-13-17(4-2)7-8-19(18)14-20/h3,15,17-21H,1,4-14,16H2,2H3.
What are the key properties of 6-but-3-enyl-2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalene?
6-but-3-enyl-2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 386.57 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139866006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).