[(3aS,8S,8aR,9R,9aR)-9-(methoxymethoxy)-2,2-dimethyl-3a,4,6,7,8,8a,9,9a-octahydro-[1,3]dioxolo[4,5-f]indolizin-8-yl] acetate

C15H25NO6 — CID 10064287

IUPAC[(3aS,8S,8aR,9R,9aR)-9-(methoxymethoxy)-2,2-dimethyl-3a,4,6,7,8,8a,9,9a-octahydro-[1,3]dioxolo[4,5-f]indolizin-8-yl] acetate
SMILESCOCO[C@H]1[C@@H]2OC(C)(C)O[C@H]2CN2CC[C@H](OC(C)=O)[C@H]12
InChIInChI=1S/C15H25NO6/c1-9(17)20-10-5-6-16-7-11-13(22-15(2,3)21-11)14(12(10)16)19-8-18-4/h10-14H,5-8H2,1-4H3/t10-,11-,12+,13+,14+/m0/s1
InChIKeySBZRSTFPFLCOLN-ODXJTPSBSA-N
MW315.37 g/mol
LogP0.52
Rot. Bonds4

About [(3aS,8S,8aR,9R,9aR)-9-(methoxymethoxy)-2,2-dimethyl-3a,4,6,7,8,8a,9,9a-octahydro-[1,3]dioxolo[4,5-f]indolizin-8-yl] acetate

[(3aS,8S,8aR,9R,9aR)-9-(methoxymethoxy)-2,2-dimethyl-3a,4,6,7,8,8a,9,9a-octahydro-[1,3]dioxolo[4,5-f]indolizin-8-yl] acetate (PubChem CID 10064287) has the molecular formula C15H25NO6 and a molecular weight of 315.37 g/mol. Its IUPAC name is [(3aS,8S,8aR,9R,9aR)-9-(methoxymethoxy)-2,2-dimethyl-3a,4,6,7,8,8a,9,9a-octahydro-[1,3]dioxolo[4,5-f]indolizin-8-yl] acetate.

Molecular Properties

Compound Name[(3aS,8S,8aR,9R,9aR)-9-(methoxymethoxy)-2,2-dimethyl-3a,4,6,7,8,8a,9,9a-octahydro-[1,3]dioxolo[4,5-f]indolizin-8-yl] acetate
PubChem CID10064287
Molecular FormulaC15H25NO6
Molecular Weight315.37 g/mol
Exact Mass315.17
IUPAC Name[(3aS,8S,8aR,9R,9aR)-9-(methoxymethoxy)-2,2-dimethyl-3a,4,6,7,8,8a,9,9a-octahydro-[1,3]dioxolo[4,5-f]indolizin-8-yl] acetate
SMILESCOCO[C@H]1[C@@H]2OC(C)(C)O[C@H]2CN2CC[C@H](OC(C)=O)[C@H]12
InChIInChI=1S/C15H25NO6/c1-9(17)20-10-5-6-16-7-11-13(22-15(2,3)21-11)14(12(10)16)19-8-18-4/h10-14H,5-8H2,1-4H3/t10-,11-,12+,13+,14+/m0/s1
InChIKeySBZRSTFPFLCOLN-ODXJTPSBSA-N
XLogP0.52
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(3aS,8S,8aR,9R,9aR)-9-(methoxymethoxy)-2,2-dimethyl-3a,4,6,7,8,8a,9,9a-octahydro-[1,3]dioxolo[4,5-f]indolizin-8-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aS,8S,8aR,9R,9aR)-9-(methoxymethoxy)-2,2-dimethyl-3a,4,6,7,8,8a,9,9a-octahydro-[1,3]dioxolo[4,5-f]indolizin-8-yl] acetate?
The IUPAC name of [(3aS,8S,8aR,9R,9aR)-9-(methoxymethoxy)-2,2-dimethyl-3a,4,6,7,8,8a,9,9a-octahydro-[1,3]dioxolo[4,5-f]indolizin-8-yl] acetate (CID 10064287) is [(3aS,8S,8aR,9R,9aR)-9-(methoxymethoxy)-2,2-dimethyl-3a,4,6,7,8,8a,9,9a-octahydro-[1,3]dioxolo[4,5-f]indolizin-8-yl] acetate.
What is the SMILES notation for [(3aS,8S,8aR,9R,9aR)-9-(methoxymethoxy)-2,2-dimethyl-3a,4,6,7,8,8a,9,9a-octahydro-[1,3]dioxolo[4,5-f]indolizin-8-yl] acetate?
The canonical SMILES for [(3aS,8S,8aR,9R,9aR)-9-(methoxymethoxy)-2,2-dimethyl-3a,4,6,7,8,8a,9,9a-octahydro-[1,3]dioxolo[4,5-f]indolizin-8-yl] acetate is COCO[C@H]1[C@@H]2OC(C)(C)O[C@H]2CN2CC[C@H](OC(C)=O)[C@H]12.
What is the InChIKey of [(3aS,8S,8aR,9R,9aR)-9-(methoxymethoxy)-2,2-dimethyl-3a,4,6,7,8,8a,9,9a-octahydro-[1,3]dioxolo[4,5-f]indolizin-8-yl] acetate?
The InChIKey is SBZRSTFPFLCOLN-ODXJTPSBSA-N. The full InChI is InChI=1S/C15H25NO6/c1-9(17)20-10-5-6-16-7-11-13(22-15(2,3)21-11)14(12(10)16)19-8-18-4/h10-14H,5-8H2,1-4H3/t10-,11-,12+,13+,14+/m0/s1.
What are the key properties of [(3aS,8S,8aR,9R,9aR)-9-(methoxymethoxy)-2,2-dimethyl-3a,4,6,7,8,8a,9,9a-octahydro-[1,3]dioxolo[4,5-f]indolizin-8-yl] acetate?
[(3aS,8S,8aR,9R,9aR)-9-(methoxymethoxy)-2,2-dimethyl-3a,4,6,7,8,8a,9,9a-octahydro-[1,3]dioxolo[4,5-f]indolizin-8-yl] acetate has a molecular weight of 315.37 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,8S,8aR,9R,9aR)-9-(methoxymethoxy)-2,2-dimethyl-3a,4,6,7,8,8a,9,9a-octahydro-[1,3]dioxolo[4,5-f]indolizin-8-yl] acetate is sourced from PubChem (CID 10064287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).