2-[3-[4a-methyl-2-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]but-2-enyl]-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-ol

C30H50O6 — CID 163115930

About 2-[3-[4a-methyl-2-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]but-2-enyl]-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-ol

2-[3-[4a-methyl-2-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]but-2-enyl]-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-ol (PubChem CID 163115930) has the molecular formula C30H50O6 and a molecular weight of 506.72 g/mol. Its IUPAC name is 2-[3-[4a-methyl-2-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]but-2-enyl]-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-ol.

Molecular Properties

• Compound Name: 2-[3-[4a-methyl-2-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]but-2-enyl]-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-ol
• PubChem CID: 163115930
• Molecular Formula: C30H50O6
• Molecular Weight: 506.72 g/mol
• Exact Mass: 506.36
• IUPAC Name: 2-[3-[4a-methyl-2-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]but-2-enyl]-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-ol
• SMILES: C=C(C)C1CCC(C)(C2CCC3(C)OC(C(C)=CCC4OC(C(C)(C)O)CCC4(C)O)CCC3O2)O1
• InChI: InChI=1S/C30H50O6/c1-19(2)21-13-17-29(7,35-21)26-15-18-30(8)25(34-26)12-10-22(36-30)20(3)9-11-24-28(6,32)16-14-23(33-24)27(4,5)31/h9,21-26,31-32H,1,10-18H2,2-8H3
• InChIKey: YRZUSVWWYOBXCR-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.72
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4a-methyl-2-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]but-2-enyl]-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-ol?

The IUPAC name of 2-[3-[4a-methyl-2-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]but-2-enyl]-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-ol (CID 163115930) is 2-[3-[4a-methyl-2-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]but-2-enyl]-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-ol.

What is the SMILES notation for 2-[3-[4a-methyl-2-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]but-2-enyl]-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-ol?

The canonical SMILES for 2-[3-[4a-methyl-2-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]but-2-enyl]-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-ol is C=C(C)C1CCC(C)(C2CCC3(C)OC(C(C)=CCC4OC(C(C)(C)O)CCC4(C)O)CCC3O2)O1.

What is the InChIKey of 2-[3-[4a-methyl-2-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]but-2-enyl]-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-ol?

The InChIKey is YRZUSVWWYOBXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50O6/c1-19(2)21-13-17-29(7,35-21)26-15-18-30(8)25(34-26)12-10-22(36-30)20(3)9-11-24-28(6,32)16-14-23(33-24)27(4,5)31/h9,21-26,31-32H,1,10-18H2,2-8H3.

What are the key properties of 2-[3-[4a-methyl-2-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]but-2-enyl]-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-ol?

2-[3-[4a-methyl-2-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]but-2-enyl]-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-ol has a molecular weight of 506.72 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4a-methyl-2-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]but-2-enyl]-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-ol is sourced from PubChem (CID 163115930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).