(3aR,5R,6R,6aR)-5-but-3-en-2-yl-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(3aR,5S,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]methanol;(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;cis-(1R,2S)-2-(hydroxymethyl)-5-methylcyclopentan-1-ol;(2S,3R)-2-ethenyl-4-methylhex-5-ene-1,3-diol

C68H114O24 — CID 158443066

About (3aR,5R,6R,6aR)-5-but-3-en-2-yl-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(3aR,5S,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]methanol;(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;cis-(1R,2S)-2-(hydroxymethyl)-5-methylcyclopentan-1-ol;(2S,3R)-2-ethenyl-4-methylhex-5-ene-1,3-diol

(3aR,5R,6R,6aR)-5-but-3-en-2-yl-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(3aR,5S,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]methanol;(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;cis-(1R,2S)-2-(hydroxymethyl)-5-methylcyclopentan-1-ol;(2S,3R)-2-ethenyl-4-methylhex-5-ene-1,3-diol (PubChem CID 158443066) has the molecular formula C68H114O24 and a molecular weight of 1315.64 g/mol. Its IUPAC name is (3aR,5R,6R,6aR)-5-but-3-en-2-yl-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(3aR,5S,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]methanol;(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;cis-(1R,2S)-2-(hydroxymethyl)-5-methylcyclopentan-1-ol;(2S,3R)-2-ethenyl-4-methylhex-5-ene-1,3-diol.

Molecular Properties

• Compound Name: (3aR,5R,6R,6aR)-5-but-3-en-2-yl-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(3aR,5S,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]methanol;(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;cis-(1R,2S)-2-(hydroxymethyl)-5-methylcyclopentan-1-ol;(2S,3R)-2-ethenyl-4-methylhex-5-ene-1,3-diol
• PubChem CID: 158443066
• Molecular Formula: C68H114O24
• Molecular Weight: 1315.64 g/mol
• Exact Mass: 1314.77
• IUPAC Name: (3aR,5R,6R,6aR)-5-but-3-en-2-yl-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(3aR,5S,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]methanol;(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;cis-(1R,2S)-2-(hydroxymethyl)-5-methylcyclopentan-1-ol;(2S,3R)-2-ethenyl-4-methylhex-5-ene-1,3-diol
• SMILES: C=CC(C)[C@@H](O)[C@@H](C=C)CO.C=CC(C)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1C=C.C=C[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1C1COC(C)(C)O1.CC1(C)OCC([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2CO)O1.CC1(C)OCC([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)O1.CC1CC[C@@H](CO)[C@@H]1O
• InChI: InChI=1S/C14H22O5.C13H22O6.C13H20O3.C12H20O6.C9H16O2.C7H14O2/c1-6-8-10(9-7-15-13(2,3)17-9)16-12-11(8)18-14(4,5)19-12;1-12(2)15-6-8(17-12)9-7(5-14)10-11(16-9)19-13(3,4)18-10;1-6-8(3)10-9(7-2)11-12(14-10)16-13(4,5)15-11;1-11(2)14-5-6(16-11)8-7(13)9-10(15-8)18-12(3,4)17-9;1-4-7(3)9(11)8(5-2)6-10;1-5-2-3-6(4-8)7(5)9/h6,8-12H,1,7H2,2-5H3;7-11,14H,5-6H2,1-4H3;6-12H,1-2H2,3-5H3;6-10,13H,5H2,1-4H3;4-5,7-11H,1-2,6H2,3H3;5-9H,2-4H2,1H3/t8-,9?,10+,11-,12-;7-,8?,9+,10-,11-;8?,9-,10-,11-,12-;6?,7-,8+,9+,10+;7?,8-,9+;5?,6-,7+/m111000/s1
• InChIKey: HDAZNPJEZAOZMF-UKDAKLKDSA-N
• XLogP: 6.65
• TPSA: 287.52 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1315.64
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6R,6aR)-5-but-3-en-2-yl-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(3aR,5S,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]methanol;(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;cis-(1R,2S)-2-(hydroxymethyl)-5-methylcyclopentan-1-ol;(2S,3R)-2-ethenyl-4-methylhex-5-ene-1,3-diol?

The IUPAC name of (3aR,5R,6R,6aR)-5-but-3-en-2-yl-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(3aR,5S,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]methanol;(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;cis-(1R,2S)-2-(hydroxymethyl)-5-methylcyclopentan-1-ol;(2S,3R)-2-ethenyl-4-methylhex-5-ene-1,3-diol (CID 158443066) is (3aR,5R,6R,6aR)-5-but-3-en-2-yl-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(3aR,5S,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]methanol;(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;cis-(1R,2S)-2-(hydroxymethyl)-5-methylcyclopentan-1-ol;(2S,3R)-2-ethenyl-4-methylhex-5-ene-1,3-diol.

What is the SMILES notation for (3aR,5R,6R,6aR)-5-but-3-en-2-yl-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(3aR,5S,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]methanol;(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;cis-(1R,2S)-2-(hydroxymethyl)-5-methylcyclopentan-1-ol;(2S,3R)-2-ethenyl-4-methylhex-5-ene-1,3-diol?

The canonical SMILES for (3aR,5R,6R,6aR)-5-but-3-en-2-yl-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(3aR,5S,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]methanol;(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;cis-(1R,2S)-2-(hydroxymethyl)-5-methylcyclopentan-1-ol;(2S,3R)-2-ethenyl-4-methylhex-5-ene-1,3-diol is C=CC(C)[C@@H](O)[C@@H](C=C)CO.C=CC(C)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1C=C.C=C[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1C1COC(C)(C)O1.CC1(C)OCC([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2CO)O1.CC1(C)OCC([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)O1.CC1CC[C@@H](CO)[C@@H]1O.

What is the InChIKey of (3aR,5R,6R,6aR)-5-but-3-en-2-yl-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(3aR,5S,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]methanol;(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;cis-(1R,2S)-2-(hydroxymethyl)-5-methylcyclopentan-1-ol;(2S,3R)-2-ethenyl-4-methylhex-5-ene-1,3-diol?

The InChIKey is HDAZNPJEZAOZMF-UKDAKLKDSA-N. The full InChI is InChI=1S/C14H22O5.C13H22O6.C13H20O3.C12H20O6.C9H16O2.C7H14O2/c1-6-8-10(9-7-15-13(2,3)17-9)16-12-11(8)18-14(4,5)19-12;1-12(2)15-6-8(17-12)9-7(5-14)10-11(16-9)19-13(3,4)18-10;1-6-8(3)10-9(7-2)11-12(14-10)16-13(4,5)15-11;1-11(2)14-5-6(16-11)8-7(13)9-10(15-8)18-12(3,4)17-9;1-4-7(3)9(11)8(5-2)6-10;1-5-2-3-6(4-8)7(5)9/h6,8-12H,1,7H2,2-5H3;7-11,14H,5-6H2,1-4H3;6-12H,1-2H2,3-5H3;6-10,13H,5H2,1-4H3;4-5,7-11H,1-2,6H2,3H3;5-9H,2-4H2,1H3/t8-,9?,10+,11-,12-;7-,8?,9+,10-,11-;8?,9-,10-,11-,12-;6?,7-,8+,9+,10+;7?,8-,9+;5?,6-,7+/m111000/s1.

What are the key properties of (3aR,5R,6R,6aR)-5-but-3-en-2-yl-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(3aR,5S,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]methanol;(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;cis-(1R,2S)-2-(hydroxymethyl)-5-methylcyclopentan-1-ol;(2S,3R)-2-ethenyl-4-methylhex-5-ene-1,3-diol?

(3aR,5R,6R,6aR)-5-but-3-en-2-yl-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(3aR,5S,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]methanol;(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;cis-(1R,2S)-2-(hydroxymethyl)-5-methylcyclopentan-1-ol;(2S,3R)-2-ethenyl-4-methylhex-5-ene-1,3-diol has a molecular weight of 1315.64 g/mol, XLogP of 6.65, 14 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,5R,6R,6aR)-5-but-3-en-2-yl-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;(3aR,5S,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]methanol;(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole;cis-(1R,2S)-2-(hydroxymethyl)-5-methylcyclopentan-1-ol;(2S,3R)-2-ethenyl-4-methylhex-5-ene-1,3-diol is sourced from PubChem (CID 158443066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).