2-[5-[4-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C26H46O8 — CID 85082488

About 2-[5-[4-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[5-[4-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 85082488) has the molecular formula C26H46O8 and a molecular weight of 486.65 g/mol. Its IUPAC name is 2-[5-[4-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: 2-[5-[4-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 85082488
• Molecular Formula: C26H46O8
• Molecular Weight: 486.65 g/mol
• Exact Mass: 486.32
• IUPAC Name: 2-[5-[4-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: C=C1CC(O)C2C(C)(CO)CCCC2(C)C1CCC(C)CCOC1OC(CO)C(O)C(O)C1O
• InChI: InChI=1S/C26H46O8/c1-15(8-11-33-24-22(32)21(31)20(30)19(13-27)34-24)6-7-17-16(2)12-18(29)23-25(3,14-28)9-5-10-26(17,23)4/h15,17-24,27-32H,2,5-14H2,1,3-4H3
• InChIKey: PQVQAHOMLOTAQL-UHFFFAOYSA-N
• XLogP: 1.35
• TPSA: 139.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.65
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of 2-[5-[4-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 85082488) is 2-[5-[4-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for 2-[5-[4-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for 2-[5-[4-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is C=C1CC(O)C2C(C)(CO)CCCC2(C)C1CCC(C)CCOC1OC(CO)C(O)C(O)C1O.

What is the InChIKey of 2-[5-[4-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is PQVQAHOMLOTAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O8/c1-15(8-11-33-24-22(32)21(31)20(30)19(13-27)34-24)6-7-17-16(2)12-18(29)23-25(3,14-28)9-5-10-26(17,23)4/h15,17-24,27-32H,2,5-14H2,1,3-4H3.

What are the key properties of 2-[5-[4-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

2-[5-[4-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 486.65 g/mol, XLogP of 1.35, 9 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[4-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 85082488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).