4-[(E)-5-[(5R)-8-[1-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]ethyl]-7-[(E)-3H-furan-2-ylidenemethyl]-3,3-dimethyl-1,4,6-trioxaspiro[4.5]deca-7,9-dien-2-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one;ethane

C45H56O10 — CID 143436863

About 4-[(E)-5-[(5R)-8-[1-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]ethyl]-7-[(E)-3H-furan-2-ylidenemethyl]-3,3-dimethyl-1,4,6-trioxaspiro[4.5]deca-7,9-dien-2-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one;ethane

4-[(E)-5-[(5R)-8-[1-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]ethyl]-7-[(E)-3H-furan-2-ylidenemethyl]-3,3-dimethyl-1,4,6-trioxaspiro[4.5]deca-7,9-dien-2-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one;ethane (PubChem CID 143436863) has the molecular formula C45H56O10 and a molecular weight of 756.93 g/mol. Its IUPAC name is 4-[(E)-5-[(5R)-8-[1-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]ethyl]-7-[(E)-3H-furan-2-ylidenemethyl]-3,3-dimethyl-1,4,6-trioxaspiro[4.5]deca-7,9-dien-2-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one;ethane.

Molecular Properties

• Compound Name: 4-[(E)-5-[(5R)-8-[1-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]ethyl]-7-[(E)-3H-furan-2-ylidenemethyl]-3,3-dimethyl-1,4,6-trioxaspiro[4.5]deca-7,9-dien-2-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one;ethane
• PubChem CID: 143436863
• Molecular Formula: C45H56O10
• Molecular Weight: 756.93 g/mol
• Exact Mass: 756.39
• IUPAC Name: 4-[(E)-5-[(5R)-8-[1-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]ethyl]-7-[(E)-3H-furan-2-ylidenemethyl]-3,3-dimethyl-1,4,6-trioxaspiro[4.5]deca-7,9-dien-2-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one;ethane
• SMILES: C/C(=C\COC(C)C1=C(/C=C2\CC=CO2)O[C@@]2(C=C1)OC(CC/C(C)=C/COc1c3ccoc3cc3oc(=O)ccc13)C(C)(C)O2)CCC1OC1(C)C.CC
• InChI: InChI=1S/C43H50O10.C2H6/c1-27(10-13-37-41(4,5)51-37)17-22-45-29(3)31-16-20-43(50-36(31)25-30-9-8-21-46-30)52-38(42(6,7)53-43)14-11-28(2)18-23-48-40-32-12-15-39(44)49-35(32)26-34-33(40)19-24-47-34;1-2/h8,12,15-21,24-26,29,37-38H,9-11,13-14,22-23H2,1-7H3;1-2H3/b27-17+,28-18+,30-25+;/t29?,37?,38?,43-;/m0./s1
• InChIKey: UGTPQRBBHVFYJN-DWYXRABSSA-N
• XLogP: 10.49
• TPSA: 111.26 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.93
LogP ≤ 5	10.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-5-[(5R)-8-[1-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]ethyl]-7-[(E)-3H-furan-2-ylidenemethyl]-3,3-dimethyl-1,4,6-trioxaspiro[4.5]deca-7,9-dien-2-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one;ethane?

The IUPAC name of 4-[(E)-5-[(5R)-8-[1-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]ethyl]-7-[(E)-3H-furan-2-ylidenemethyl]-3,3-dimethyl-1,4,6-trioxaspiro[4.5]deca-7,9-dien-2-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one;ethane (CID 143436863) is 4-[(E)-5-[(5R)-8-[1-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]ethyl]-7-[(E)-3H-furan-2-ylidenemethyl]-3,3-dimethyl-1,4,6-trioxaspiro[4.5]deca-7,9-dien-2-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one;ethane.

What is the SMILES notation for 4-[(E)-5-[(5R)-8-[1-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]ethyl]-7-[(E)-3H-furan-2-ylidenemethyl]-3,3-dimethyl-1,4,6-trioxaspiro[4.5]deca-7,9-dien-2-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one;ethane?

The canonical SMILES for 4-[(E)-5-[(5R)-8-[1-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]ethyl]-7-[(E)-3H-furan-2-ylidenemethyl]-3,3-dimethyl-1,4,6-trioxaspiro[4.5]deca-7,9-dien-2-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one;ethane is C/C(=C\COC(C)C1=C(/C=C2\CC=CO2)O[C@@]2(C=C1)OC(CC/C(C)=C/COc1c3ccoc3cc3oc(=O)ccc13)C(C)(C)O2)CCC1OC1(C)C.CC.

What is the InChIKey of 4-[(E)-5-[(5R)-8-[1-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]ethyl]-7-[(E)-3H-furan-2-ylidenemethyl]-3,3-dimethyl-1,4,6-trioxaspiro[4.5]deca-7,9-dien-2-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one;ethane?

The InChIKey is UGTPQRBBHVFYJN-DWYXRABSSA-N. The full InChI is InChI=1S/C43H50O10.C2H6/c1-27(10-13-37-41(4,5)51-37)17-22-45-29(3)31-16-20-43(50-36(31)25-30-9-8-21-46-30)52-38(42(6,7)53-43)14-11-28(2)18-23-48-40-32-12-15-39(44)49-35(32)26-34-33(40)19-24-47-34;1-2/h8,12,15-21,24-26,29,37-38H,9-11,13-14,22-23H2,1-7H3;1-2H3/b27-17+,28-18+,30-25+;/t29?,37?,38?,43-;/m0./s1.

What are the key properties of 4-[(E)-5-[(5R)-8-[1-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]ethyl]-7-[(E)-3H-furan-2-ylidenemethyl]-3,3-dimethyl-1,4,6-trioxaspiro[4.5]deca-7,9-dien-2-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one;ethane?

4-[(E)-5-[(5R)-8-[1-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]ethyl]-7-[(E)-3H-furan-2-ylidenemethyl]-3,3-dimethyl-1,4,6-trioxaspiro[4.5]deca-7,9-dien-2-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one;ethane has a molecular weight of 756.93 g/mol, XLogP of 10.49, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-5-[(5R)-8-[1-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]ethyl]-7-[(E)-3H-furan-2-ylidenemethyl]-3,3-dimethyl-1,4,6-trioxaspiro[4.5]deca-7,9-dien-2-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one;ethane is sourced from PubChem (CID 143436863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).