(2R)-4,4,7'-trimethyl-5-[(E)-3-methyl-5-(7-methylidenefuro[3,2-g]chromen-4-yl)oxypent-3-enyl]spiro[1,3-dioxolane-2,2'-chromene]

C32H32O6 — CID 143436878

About (2R)-4,4,7'-trimethyl-5-[(E)-3-methyl-5-(7-methylidenefuro[3,2-g]chromen-4-yl)oxypent-3-enyl]spiro[1,3-dioxolane-2,2'-chromene]

(2R)-4,4,7'-trimethyl-5-[(E)-3-methyl-5-(7-methylidenefuro[3,2-g]chromen-4-yl)oxypent-3-enyl]spiro[1,3-dioxolane-2,2'-chromene] (PubChem CID 143436878) has the molecular formula C32H32O6 and a molecular weight of 512.60 g/mol. Its IUPAC name is (2R)-4,4,7'-trimethyl-5-[(E)-3-methyl-5-(7-methylidenefuro[3,2-g]chromen-4-yl)oxypent-3-enyl]spiro[1,3-dioxolane-2,2'-chromene].

Molecular Properties

• Compound Name: (2R)-4,4,7'-trimethyl-5-[(E)-3-methyl-5-(7-methylidenefuro[3,2-g]chromen-4-yl)oxypent-3-enyl]spiro[1,3-dioxolane-2,2'-chromene]
• PubChem CID: 143436878
• Molecular Formula: C32H32O6
• Molecular Weight: 512.60 g/mol
• Exact Mass: 512.22
• IUPAC Name: (2R)-4,4,7'-trimethyl-5-[(E)-3-methyl-5-(7-methylidenefuro[3,2-g]chromen-4-yl)oxypent-3-enyl]spiro[1,3-dioxolane-2,2'-chromene]
• SMILES: C=C1C=Cc2c(cc3occc3c2OC/C=C(\C)CCC2O[C@@]3(C=Cc4ccc(C)cc4O3)OC2(C)C)O1
• InChI: InChI=1S/C32H32O6/c1-20(13-16-34-30-24-10-8-22(3)35-28(24)19-27-25(30)14-17-33-27)7-11-29-31(4,5)38-32(37-29)15-12-23-9-6-21(2)18-26(23)36-32/h6,8-10,12-15,17-19,29H,3,7,11,16H2,1-2,4-5H3/b20-13+/t29?,32-/m0/s1
• InChIKey: KFIWVTKFPXDLIA-YYAONTOWSA-N
• XLogP: 7.72
• TPSA: 59.29 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.60
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	0
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 (2R)-4,4,7'-trimethyl-5-[(E)-3-methyl-5-(7-methylidenefuro[3,2-g]chromen-4-yl)oxypent-3-enyl]spiro[1,3-dioxolane-2,2'-chromene]?

The IUPAC name of (2R)-4,4,7'-trimethyl-5-[(E)-3-methyl-5-(7-methylidenefuro[3,2-g]chromen-4-yl)oxypent-3-enyl]spiro[1,3-dioxolane-2,2'-chromene] (CID 143436878) is (2R)-4,4,7'-trimethyl-5-[(E)-3-methyl-5-(7-methylidenefuro[3,2-g]chromen-4-yl)oxypent-3-enyl]spiro[1,3-dioxolane-2,2'-chromene].

What is the SMILES notation for (2R)-4,4,7'-trimethyl-5-[(E)-3-methyl-5-(7-methylidenefuro[3,2-g]chromen-4-yl)oxypent-3-enyl]spiro[1,3-dioxolane-2,2'-chromene]?

The canonical SMILES for (2R)-4,4,7'-trimethyl-5-[(E)-3-methyl-5-(7-methylidenefuro[3,2-g]chromen-4-yl)oxypent-3-enyl]spiro[1,3-dioxolane-2,2'-chromene] is C=C1C=Cc2c(cc3occc3c2OC/C=C(\C)CCC2O[C@@]3(C=Cc4ccc(C)cc4O3)OC2(C)C)O1.

What is the InChIKey of (2R)-4,4,7'-trimethyl-5-[(E)-3-methyl-5-(7-methylidenefuro[3,2-g]chromen-4-yl)oxypent-3-enyl]spiro[1,3-dioxolane-2,2'-chromene]?

The InChIKey is KFIWVTKFPXDLIA-YYAONTOWSA-N. The full InChI is InChI=1S/C32H32O6/c1-20(13-16-34-30-24-10-8-22(3)35-28(24)19-27-25(30)14-17-33-27)7-11-29-31(4,5)38-32(37-29)15-12-23-9-6-21(2)18-26(23)36-32/h6,8-10,12-15,17-19,29H,3,7,11,16H2,1-2,4-5H3/b20-13+/t29?,32-/m0/s1.

What are the key properties of (2R)-4,4,7'-trimethyl-5-[(E)-3-methyl-5-(7-methylidenefuro[3,2-g]chromen-4-yl)oxypent-3-enyl]spiro[1,3-dioxolane-2,2'-chromene]?

(2R)-4,4,7'-trimethyl-5-[(E)-3-methyl-5-(7-methylidenefuro[3,2-g]chromen-4-yl)oxypent-3-enyl]spiro[1,3-dioxolane-2,2'-chromene] has a molecular weight of 512.60 g/mol, XLogP of 7.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4,4,7'-trimethyl-5-[(E)-3-methyl-5-(7-methylidenefuro[3,2-g]chromen-4-yl)oxypent-3-enyl]spiro[1,3-dioxolane-2,2'-chromene] is sourced from PubChem (CID 143436878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).