(3'aR,5S)-2',2'-dimethyl-3-(4-methylphenyl)spiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione

C17H19NO6 — CID 58766072

IUPAC(3'aR,5S)-2',2'-dimethyl-3-(4-methylphenyl)spiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
SMILESCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)OC4C3=O)OC2=O)cc1
InChIInChI=1S/C17H19NO6/c1-10-4-6-11(7-5-10)18-9-17(24-15(18)20)14(19)13-12(8-21-17)22-16(2,3)23-13/h4-7,12-13H,8-9H2,1-3H3/t12-,13?,17+/m1/s1
InChIKeyWFKGDVVGAWYPFR-KOHRXURCSA-N
MW333.34 g/mol
LogP1.77
Rot. Bonds1

About (3'aR,5S)-2',2'-dimethyl-3-(4-methylphenyl)spiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione

(3'aR,5S)-2',2'-dimethyl-3-(4-methylphenyl)spiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione (PubChem CID 58766072) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is (3'aR,5S)-2',2'-dimethyl-3-(4-methylphenyl)spiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione.

Molecular Properties

Compound Name(3'aR,5S)-2',2'-dimethyl-3-(4-methylphenyl)spiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
PubChem CID58766072
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name(3'aR,5S)-2',2'-dimethyl-3-(4-methylphenyl)spiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
SMILESCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)OC4C3=O)OC2=O)cc1
InChIInChI=1S/C17H19NO6/c1-10-4-6-11(7-5-10)18-9-17(24-15(18)20)14(19)13-12(8-21-17)22-16(2,3)23-13/h4-7,12-13H,8-9H2,1-3H3/t12-,13?,17+/m1/s1
InChIKeyWFKGDVVGAWYPFR-KOHRXURCSA-N
XLogP1.77
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3'aR,5S)-2',2'-dimethyl-3-(4-methylphenyl)spiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3'aR,5S)-2',2'-dimethyl-3-(4-methylphenyl)spiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione?
The IUPAC name of (3'aR,5S)-2',2'-dimethyl-3-(4-methylphenyl)spiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione (CID 58766072) is (3'aR,5S)-2',2'-dimethyl-3-(4-methylphenyl)spiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione.
What is the SMILES notation for (3'aR,5S)-2',2'-dimethyl-3-(4-methylphenyl)spiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione?
The canonical SMILES for (3'aR,5S)-2',2'-dimethyl-3-(4-methylphenyl)spiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione is Cc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)OC4C3=O)OC2=O)cc1.
What is the InChIKey of (3'aR,5S)-2',2'-dimethyl-3-(4-methylphenyl)spiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione?
The InChIKey is WFKGDVVGAWYPFR-KOHRXURCSA-N. The full InChI is InChI=1S/C17H19NO6/c1-10-4-6-11(7-5-10)18-9-17(24-15(18)20)14(19)13-12(8-21-17)22-16(2,3)23-13/h4-7,12-13H,8-9H2,1-3H3/t12-,13?,17+/m1/s1.
What are the key properties of (3'aR,5S)-2',2'-dimethyl-3-(4-methylphenyl)spiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione?
(3'aR,5S)-2',2'-dimethyl-3-(4-methylphenyl)spiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione has a molecular weight of 333.34 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aR,5S)-2',2'-dimethyl-3-(4-methylphenyl)spiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione is sourced from PubChem (CID 58766072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).