(3aS,8R,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-ol

C13H23NO5 — CID 10265304

IUPAC(3aS,8R,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-ol
SMILESCOCO[C@H]1[C@@H]2OC(C)(C)O[C@H]2CN2CC[C@@H](O)[C@H]12
InChIInChI=1S/C13H23NO5/c1-13(2)18-9-6-14-5-4-8(15)10(14)12(11(9)19-13)17-7-16-3/h8-12,15H,4-7H2,1-3H3/t8-,9+,10-,11-,12-/m1/s1
InChIKeyHIOYWDCWQCBLDY-IYKVGLELSA-N
MW273.33 g/mol
LogP-0.06
Rot. Bonds3

About (3aS,8R,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-ol

(3aS,8R,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-ol (PubChem CID 10265304) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is (3aS,8R,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-ol.

Molecular Properties

Compound Name(3aS,8R,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-ol
PubChem CID10265304
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name(3aS,8R,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-ol
SMILESCOCO[C@H]1[C@@H]2OC(C)(C)O[C@H]2CN2CC[C@@H](O)[C@H]12
InChIInChI=1S/C13H23NO5/c1-13(2)18-9-6-14-5-4-8(15)10(14)12(11(9)19-13)17-7-16-3/h8-12,15H,4-7H2,1-3H3/t8-,9+,10-,11-,12-/m1/s1
InChIKeyHIOYWDCWQCBLDY-IYKVGLELSA-N
XLogP-0.06
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3aS,8R,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-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,8R,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-ol?
The IUPAC name of (3aS,8R,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-ol (CID 10265304) is (3aS,8R,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-ol.
What is the SMILES notation for (3aS,8R,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-ol?
The canonical SMILES for (3aS,8R,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-ol is COCO[C@H]1[C@@H]2OC(C)(C)O[C@H]2CN2CC[C@@H](O)[C@H]12.
What is the InChIKey of (3aS,8R,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-ol?
The InChIKey is HIOYWDCWQCBLDY-IYKVGLELSA-N. The full InChI is InChI=1S/C13H23NO5/c1-13(2)18-9-6-14-5-4-8(15)10(14)12(11(9)19-13)17-7-16-3/h8-12,15H,4-7H2,1-3H3/t8-,9+,10-,11-,12-/m1/s1.
What are the key properties of (3aS,8R,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-ol?
(3aS,8R,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-ol has a molecular weight of 273.33 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8R,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-ol is sourced from PubChem (CID 10265304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).