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

C30H46 — CID 90685714

IUPAC2-[(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
SMILESCC=C[C@@H]1CC[C@@H]2CC(C3CCc4cc(CCCCCCC)ccc4C3)CC[C@@H]2C1
InChIInChI=1S/C30H46/c1-3-5-6-7-8-10-24-12-14-28-22-30(18-16-26(28)20-24)29-17-15-25-19-23(9-4-2)11-13-27(25)21-29/h4,9,12,14,20,23,25,27,29-30H,3,5-8,10-11,13,15-19,21-22H2,1-2H3/t23-,25-,27-,29?,30?/m1/s1
InChIKeyLEXQKYNPADRHKR-OTFXISIJSA-N
MW406.70 g/mol
LogP8.71
Rot. Bonds8

About 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

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 (PubChem CID 90685714) has the molecular formula C30H46 and a molecular weight of 406.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID90685714
Molecular FormulaC30H46
Molecular Weight406.70 g/mol
Exact Mass406.36
IUPAC Name2-[(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
SMILESCC=C[C@@H]1CC[C@@H]2CC(C3CCc4cc(CCCCCCC)ccc4C3)CC[C@@H]2C1
InChIInChI=1S/C30H46/c1-3-5-6-7-8-10-24-12-14-28-22-30(18-16-26(28)20-24)29-17-15-25-19-23(9-4-2)11-13-27(25)21-29/h4,9,12,14,20,23,25,27,29-30H,3,5-8,10-11,13,15-19,21-22H2,1-2H3/t23-,25-,27-,29?,30?/m1/s1
InChIKeyLEXQKYNPADRHKR-OTFXISIJSA-N
XLogP8.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.70
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
2-[(6R,8aR)-6-but-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-hexyl-1,2,3,4-tetrahydronaphthalene
CID 91463899
2-[(6R,8aR)-6-pent-3-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-heptyl-1,2,3,4-tetrahydronaphthalene
CID 91055196
2-[(6R,8aR)-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-pentyl-1,2,3,4-tetrahydronaphthalene
CID 20808644
6-heptyl-2-(6-pentoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 22384930
6-heptyl-2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 22383065
2-[(6R,8aR)-6-but-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-butyl-1,2,3,4-tetrahydronaphthalene
CID 91443856
2-(6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139865202
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-[(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
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
2-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 22384357

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC=C[C@@H]1CC[C@@H]2CC(C3CCc4cc(CCCCCCC)ccc4C3)CC[C@@H]2C1.
What is the InChIKey of 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?
The InChIKey is LEXQKYNPADRHKR-OTFXISIJSA-N. The full InChI is InChI=1S/C30H46/c1-3-5-6-7-8-10-24-12-14-28-22-30(18-16-26(28)20-24)29-17-15-25-19-23(9-4-2)11-13-27(25)21-29/h4,9,12,14,20,23,25,27,29-30H,3,5-8,10-11,13,15-19,21-22H2,1-2H3/t23-,25-,27-,29?,30?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 406.70 g/mol, XLogP of 8.71, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90685714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).