6-[(E)-prop-1-enyl]-2-[6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene

C26H36 — CID 22383907

IUPAC6-[(E)-prop-1-enyl]-2-[6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/c1ccc2c(c1)CCC(C1CCC3CC(/C=C/C)CCC3C1)C2
InChIInChI=1S/C26H36/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/h3-7,9,15,20,22,24-26H,8,10-14,16-18H2,1-2H3/b5-3+,6-4+
InChIKeyDTUJZWXQEAPZBU-GGWOSOGESA-N
MW348.57 g/mol
LogP7.23
Rot. Bonds3

About 6-[(E)-prop-1-enyl]-2-[6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene

6-[(E)-prop-1-enyl]-2-[6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 22383907) has the molecular formula C26H36 and a molecular weight of 348.57 g/mol. Its IUPAC name is 6-[(E)-prop-1-enyl]-2-[6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[(E)-prop-1-enyl]-2-[6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
PubChem CID22383907
Molecular FormulaC26H36
Molecular Weight348.57 g/mol
Exact Mass348.28
IUPAC Name6-[(E)-prop-1-enyl]-2-[6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/c1ccc2c(c1)CCC(C1CCC3CC(/C=C/C)CCC3C1)C2
InChIInChI=1S/C26H36/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/h3-7,9,15,20,22,24-26H,8,10-14,16-18H2,1-2H3/b5-3+,6-4+
InChIKeyDTUJZWXQEAPZBU-GGWOSOGESA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-[(E)-prop-1-enyl]-2-[6-[(E)-prop-1-enyl]-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-[(6R,8aR)-6-but-3-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-prop-1-enyl-1,2,3,4-tetrahydronaphthalene
CID 90779814
2-[(4aR,6R,8aR)-6-prop-1-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-heptyl-1,2,3,4-tetrahydronaphthalene
CID 90685714
6-ethyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 22383483
6-ethenyl-2-(6-pent-3-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 173212641
2-[(6R,8aR)-6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-methyl-1,2,3,4-tetrahydronaphthalene
CID 20808608
2-[4-[(E)-prop-1-enyl]cyclohexyl]-6-[2-(3,4,5-trifluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139853568
6-(2,3-difluorophenyl)-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139853441
6-but-3-enyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 22383068
6-[(E)-but-2-enoxy]-2-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 22383813
2-[6-(2,2-difluoroethenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-heptyl-1,2,3,4-tetrahydronaphthalene
CID 22383632
6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139848588
2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139849344

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-prop-1-enyl]-2-[6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[(E)-prop-1-enyl]-2-[6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene (CID 22383907) is 6-[(E)-prop-1-enyl]-2-[6-[(E)-prop-1-enyl]-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-[(E)-prop-1-enyl]-2-[6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[(E)-prop-1-enyl]-2-[6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene is C/C=C/c1ccc2c(c1)CCC(C1CCC3CC(/C=C/C)CCC3C1)C2.
What is the InChIKey of 6-[(E)-prop-1-enyl]-2-[6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is DTUJZWXQEAPZBU-GGWOSOGESA-N. The full InChI is InChI=1S/C26H36/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/h3-7,9,15,20,22,24-26H,8,10-14,16-18H2,1-2H3/b5-3+,6-4+.
What are the key properties of 6-[(E)-prop-1-enyl]-2-[6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene?
6-[(E)-prop-1-enyl]-2-[6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 348.57 g/mol, XLogP of 7.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-prop-1-enyl]-2-[6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 22383907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).