2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol

C₁₆H₂₂O₃ — CID 155554322

About 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol

2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol (PubChem CID 155554322) has the molecular formula C₁₆H₂₂O₃ and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol.

Molecular Properties

• Compound Name: 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol
• PubChem CID: 155554322
• Molecular Formula: C₁₆H₂₂O₃
• Molecular Weight: 262.35 g/mol
• Exact Mass: 262.16
• IUPAC Name: 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol
• SMILES: CC(C)=CCCC1(C)CC(O)c2cc(O)ccc2O1
• InChI: InChI=1S/C16H22O3/c1-11(2)5-4-8-16(3)10-14(18)13-9-12(17)6-7-15(13)19-16/h5-7,9,14,17-18H,4,8,10H2,1-3H3
• InChIKey: FNLNSHQXHPOIHX-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 49.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.35
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol?

The IUPAC name of 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol (CID 155554322) is 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol.

What is the SMILES notation for 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol?

The canonical SMILES for 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol is CC(C)=CCCC1(C)CC(O)c2cc(O)ccc2O1.

What is the InChIKey of 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol?

The InChIKey is FNLNSHQXHPOIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11(2)5-4-8-16(3)10-14(18)13-9-12(17)6-7-15(13)19-16/h5-7,9,14,17-18H,4,8,10H2,1-3H3.

What are the key properties of 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol?

2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol has a molecular weight of 262.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-4,6-diol is sourced from PubChem (CID 155554322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155554322 — identifiers, structure, computed properties (public domain)

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