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

C27H38 — CID 90779814

IUPAC2-[(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
SMILESC=CCC[C@@H]1CC[C@@H]2CC(C3CCc4cc(C=CC)ccc4C3)CCC2C1
InChIInChI=1S/C27H38/c1-3-5-7-21-9-11-25-19-27(15-13-23(25)17-21)26-14-12-22-16-20(6-4-2)8-10-24(22)18-26/h3-4,6,8,10,16,21,23,25-27H,1,5,7,9,11-15,17-19H2,2H3/t21-,23?,25-,26?,27?/m1/s1
InChIKeyZNLNZHGPZMTCMR-NLRHWKDHSA-N
MW362.60 g/mol
LogP7.62
Rot. Bonds5

About 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

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 (PubChem CID 90779814) has the molecular formula C27H38 and a molecular weight of 362.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID90779814
Molecular FormulaC27H38
Molecular Weight362.60 g/mol
Exact Mass362.30
IUPAC Name2-[(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
SMILESC=CCC[C@@H]1CC[C@@H]2CC(C3CCc4cc(C=CC)ccc4C3)CCC2C1
InChIInChI=1S/C27H38/c1-3-5-7-21-9-11-25-19-27(15-13-23(25)17-21)26-14-12-22-16-20(6-4-2)8-10-24(22)18-26/h3-4,6,8,10,16,21,23,25-27H,1,5,7,9,11-15,17-19H2,2H3/t21-,23?,25-,26?,27?/m1/s1
InChIKeyZNLNZHGPZMTCMR-NLRHWKDHSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-(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
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
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
6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139848588
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-(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-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139852909
2-[(6R,8aR)-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-methyl-1,2,3,4-tetrahydronaphthalene
CID 20808618
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
6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139852551
6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139848082

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCC[C@@H]1CC[C@@H]2CC(C3CCc4cc(C=CC)ccc4C3)CCC2C1.
What is the InChIKey of 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?
The InChIKey is ZNLNZHGPZMTCMR-NLRHWKDHSA-N. The full InChI is InChI=1S/C27H38/c1-3-5-7-21-9-11-25-19-27(15-13-23(25)17-21)26-14-12-22-16-20(6-4-2)8-10-24(22)18-26/h3-4,6,8,10,16,21,23,25-27H,1,5,7,9,11-15,17-19H2,2H3/t21-,23?,25-,26?,27?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 362.60 g/mol, XLogP of 7.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90779814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).