(3aS,6aS)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(3aR,6aR)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(1R,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C61H100O7 — CID 160911944

About (3aS,6aS)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(3aR,6aR)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(1R,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

(3aS,6aS)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(3aR,6aR)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(1R,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 160911944) has the molecular formula C61H100O7 and a molecular weight of 945.46 g/mol. Its IUPAC name is (3aS,6aS)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(3aR,6aR)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(1R,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

• Compound Name: (3aS,6aS)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(3aR,6aR)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(1R,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
• PubChem CID: 160911944
• Molecular Formula: C61H100O7
• Molecular Weight: 945.46 g/mol
• Exact Mass: 944.75
• IUPAC Name: (3aS,6aS)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(3aR,6aR)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(1R,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
• SMILES: C=CCC12CCCC1(OC)OCC2.C=CC[C@@]12CCC[C@]1(O[C@@H]1CC3CC[C@]1(C)C3(C)C)OCC2.C=CC[C@]12CCC[C@@]1(O[C@@H]1CC3CC[C@]1(C)C3(C)C)OCC2.CC1(C)C2CC[C@@]1(C)[C@H](O)C2
• InChI: InChI=1S/2C20H32O2.C11H18O2.C10H18O/c2*1-5-8-19-9-6-10-20(19,21-13-12-19)22-16-14-15-7-11-18(16,4)17(15,2)3;1-3-5-10-6-4-7-11(10,12-2)13-9-8-10;1-9(2)7-4-5-10(9,3)8(11)6-7/h2*5,15-16H,1,6-14H2,2-4H3;3H,1,4-9H2,2H3;7-8,11H,4-6H2,1-3H3/t15?,16-,18+,19+,20-;15?,16-,18+,19-,20+;;7?,8-,10+/m11.1/s1
• InChIKey: SQXCSOKKYGLXQZ-UVLOWXRUSA-N
• XLogP: 14.85
• TPSA: 75.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	945.46
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(3aR,6aR)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(1R,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?

The IUPAC name of (3aS,6aS)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(3aR,6aR)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(1R,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 160911944) is (3aS,6aS)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(3aR,6aR)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(1R,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

What is the SMILES notation for (3aS,6aS)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(3aR,6aR)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(1R,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?

The canonical SMILES for (3aS,6aS)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(3aR,6aR)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(1R,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is C=CCC12CCCC1(OC)OCC2.C=CC[C@@]12CCC[C@]1(O[C@@H]1CC3CC[C@]1(C)C3(C)C)OCC2.C=CC[C@]12CCC[C@@]1(O[C@@H]1CC3CC[C@]1(C)C3(C)C)OCC2.CC1(C)C2CC[C@@]1(C)[C@H](O)C2.

What is the InChIKey of (3aS,6aS)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(3aR,6aR)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(1R,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?

The InChIKey is SQXCSOKKYGLXQZ-UVLOWXRUSA-N. The full InChI is InChI=1S/2C20H32O2.C11H18O2.C10H18O/c2*1-5-8-19-9-6-10-20(19,21-13-12-19)22-16-14-15-7-11-18(16,4)17(15,2)3;1-3-5-10-6-4-7-11(10,12-2)13-9-8-10;1-9(2)7-4-5-10(9,3)8(11)6-7/h2*5,15-16H,1,6-14H2,2-4H3;3H,1,4-9H2,2H3;7-8,11H,4-6H2,1-3H3/t15?,16-,18+,19+,20-;15?,16-,18+,19-,20+;;7?,8-,10+/m11.1/s1.

What are the key properties of (3aS,6aS)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(3aR,6aR)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(1R,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?

(3aS,6aS)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(3aR,6aR)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(1R,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 945.46 g/mol, XLogP of 14.85, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,6aS)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(3aR,6aR)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(1R,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 160911944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).