(2'R,3'aR,4S,7'S,7'aR)-2,2-dimethyl-2'-[(E)-2-phenylethenyl]-7'-[(4-phenylphenyl)methoxy]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]

C31H32O6 — CID 10074708

About (2'R,3'aR,4S,7'S,7'aR)-2,2-dimethyl-2'-[(E)-2-phenylethenyl]-7'-[(4-phenylphenyl)methoxy]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]

(2'R,3'aR,4S,7'S,7'aR)-2,2-dimethyl-2'-[(E)-2-phenylethenyl]-7'-[(4-phenylphenyl)methoxy]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] (PubChem CID 10074708) has the molecular formula C31H32O6 and a molecular weight of 500.59 g/mol. Its IUPAC name is (2'R,3'aR,4S,7'S,7'aR)-2,2-dimethyl-2'-[(E)-2-phenylethenyl]-7'-[(4-phenylphenyl)methoxy]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran].

Molecular Properties

• Compound Name: (2'R,3'aR,4S,7'S,7'aR)-2,2-dimethyl-2'-[(E)-2-phenylethenyl]-7'-[(4-phenylphenyl)methoxy]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
• PubChem CID: 10074708
• Molecular Formula: C31H32O6
• Molecular Weight: 500.59 g/mol
• Exact Mass: 500.22
• IUPAC Name: (2'R,3'aR,4S,7'S,7'aR)-2,2-dimethyl-2'-[(E)-2-phenylethenyl]-7'-[(4-phenylphenyl)methoxy]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
• SMILES: CC1(C)OC[C@]2(OC[C@H]3O[C@@H](/C=C/c4ccccc4)O[C@H]3[C@@H]2OCc2ccc(-c3ccccc3)cc2)O1
• InChI: InChI=1S/C31H32O6/c1-30(2)34-21-31(37-30)29(32-19-23-13-16-25(17-14-23)24-11-7-4-8-12-24)28-26(20-33-31)35-27(36-28)18-15-22-9-5-3-6-10-22/h3-18,26-29H,19-21H2,1-2H3/b18-15+/t26-,27-,28-,29+,31+/m1/s1
• InChIKey: ILBWBEZUFVAZBF-DUYLVBQQSA-N
• XLogP: 5.57
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.59
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2'R,3'aR,4S,7'S,7'aR)-2,2-dimethyl-2'-[(E)-2-phenylethenyl]-7'-[(4-phenylphenyl)methoxy]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]?

The IUPAC name of (2'R,3'aR,4S,7'S,7'aR)-2,2-dimethyl-2'-[(E)-2-phenylethenyl]-7'-[(4-phenylphenyl)methoxy]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] (CID 10074708) is (2'R,3'aR,4S,7'S,7'aR)-2,2-dimethyl-2'-[(E)-2-phenylethenyl]-7'-[(4-phenylphenyl)methoxy]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran].

What is the SMILES notation for (2'R,3'aR,4S,7'S,7'aR)-2,2-dimethyl-2'-[(E)-2-phenylethenyl]-7'-[(4-phenylphenyl)methoxy]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]?

The canonical SMILES for (2'R,3'aR,4S,7'S,7'aR)-2,2-dimethyl-2'-[(E)-2-phenylethenyl]-7'-[(4-phenylphenyl)methoxy]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] is CC1(C)OC[C@]2(OC[C@H]3O[C@@H](/C=C/c4ccccc4)O[C@H]3[C@@H]2OCc2ccc(-c3ccccc3)cc2)O1.

What is the InChIKey of (2'R,3'aR,4S,7'S,7'aR)-2,2-dimethyl-2'-[(E)-2-phenylethenyl]-7'-[(4-phenylphenyl)methoxy]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]?

The InChIKey is ILBWBEZUFVAZBF-DUYLVBQQSA-N. The full InChI is InChI=1S/C31H32O6/c1-30(2)34-21-31(37-30)29(32-19-23-13-16-25(17-14-23)24-11-7-4-8-12-24)28-26(20-33-31)35-27(36-28)18-15-22-9-5-3-6-10-22/h3-18,26-29H,19-21H2,1-2H3/b18-15+/t26-,27-,28-,29+,31+/m1/s1.

What are the key properties of (2'R,3'aR,4S,7'S,7'aR)-2,2-dimethyl-2'-[(E)-2-phenylethenyl]-7'-[(4-phenylphenyl)methoxy]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]?

(2'R,3'aR,4S,7'S,7'aR)-2,2-dimethyl-2'-[(E)-2-phenylethenyl]-7'-[(4-phenylphenyl)methoxy]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] has a molecular weight of 500.59 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2'R,3'aR,4S,7'S,7'aR)-2,2-dimethyl-2'-[(E)-2-phenylethenyl]-7'-[(4-phenylphenyl)methoxy]spiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran] is sourced from PubChem (CID 10074708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).