1-[3-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propyl]pyrrolidine-2,5-dione

C19H29NO8 — CID 18805094

IUPAC1-[3-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propyl]pyrrolidine-2,5-dione
SMILESCC1(C)OCC([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCCCN2C(=O)CCC2=O)O1
InChIInChI=1S/C19H29NO8/c1-18(2)24-10-11(26-18)14-15(16-17(25-14)28-19(3,4)27-16)23-9-5-8-20-12(21)6-7-13(20)22/h11,14-17H,5-10H2,1-4H3/t11?,14-,15+,16-,17-/m1/s1
InChIKeyFMVGVKNFUVKRSI-GYIVVWPJSA-N
MW399.44 g/mol
LogP0.94
Rot. Bonds6

About 1-[3-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propyl]pyrrolidine-2,5-dione

1-[3-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propyl]pyrrolidine-2,5-dione (PubChem CID 18805094) has the molecular formula C19H29NO8 and a molecular weight of 399.44 g/mol. Its IUPAC name is 1-[3-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propyl]pyrrolidine-2,5-dione
PubChem CID18805094
Molecular FormulaC19H29NO8
Molecular Weight399.44 g/mol
Exact Mass399.19
IUPAC Name1-[3-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propyl]pyrrolidine-2,5-dione
SMILESCC1(C)OCC([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCCCN2C(=O)CCC2=O)O1
InChIInChI=1S/C19H29NO8/c1-18(2)24-10-11(26-18)14-15(16-17(25-14)28-19(3,4)27-16)23-9-5-8-20-12(21)6-7-13(20)22/h11,14-17H,5-10H2,1-4H3/t11?,14-,15+,16-,17-/m1/s1
InChIKeyFMVGVKNFUVKRSI-GYIVVWPJSA-N
XLogP0.94
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[3-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propyl]pyrrolidine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propyl]pyrrolidine-2,5-dione (CID 18805094) is 1-[3-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propyl]pyrrolidine-2,5-dione is CC1(C)OCC([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCCCN2C(=O)CCC2=O)O1.
What is the InChIKey of 1-[3-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propyl]pyrrolidine-2,5-dione?
The InChIKey is FMVGVKNFUVKRSI-GYIVVWPJSA-N. The full InChI is InChI=1S/C19H29NO8/c1-18(2)24-10-11(26-18)14-15(16-17(25-14)28-19(3,4)27-16)23-9-5-8-20-12(21)6-7-13(20)22/h11,14-17H,5-10H2,1-4H3/t11?,14-,15+,16-,17-/m1/s1.
What are the key properties of 1-[3-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propyl]pyrrolidine-2,5-dione?
1-[3-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propyl]pyrrolidine-2,5-dione has a molecular weight of 399.44 g/mol, XLogP of 0.94, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(3aR,5R,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 18805094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).