1,2,6-tris[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C24H47NO4 — CID 172518077

IUPAC1,2,6-tris[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCC(C)(C)OCC1C(OC(C)(C)C)C(OC(C)(C)C)C2CC(OC(C)(C)C)CN12
InChIInChI=1S/C24H47NO4/c1-21(2,3)26-15-18-20(29-24(10,11)12)19(28-23(7,8)9)17-13-16(14-25(17)18)27-22(4,5)6/h16-20H,13-15H2,1-12H3
InChIKeyHGZFUADIQPDZKJ-UHFFFAOYSA-N
MW413.64 g/mol
LogP4.81
Rot. Bonds5

About 1,2,6-tris[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

1,2,6-tris[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 172518077) has the molecular formula C24H47NO4 and a molecular weight of 413.64 g/mol. Its IUPAC name is 1,2,6-tris[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

Compound Name1,2,6-tris[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
PubChem CID172518077
Molecular FormulaC24H47NO4
Molecular Weight413.64 g/mol
Exact Mass413.35
IUPAC Name1,2,6-tris[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCC(C)(C)OCC1C(OC(C)(C)C)C(OC(C)(C)C)C2CC(OC(C)(C)C)CN12
InChIInChI=1S/C24H47NO4/c1-21(2,3)26-15-18-20(29-24(10,11)12)19(28-23(7,8)9)17-13-16(14-25(17)18)27-22(4,5)6/h16-20H,13-15H2,1-12H3
InChIKeyHGZFUADIQPDZKJ-UHFFFAOYSA-N
XLogP4.81
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.64
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,2,6-tris[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,6-tris[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The IUPAC name of 1,2,6-tris[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 172518077) is 1,2,6-tris[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
What is the SMILES notation for 1,2,6-tris[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The canonical SMILES for 1,2,6-tris[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is CC(C)(C)OCC1C(OC(C)(C)C)C(OC(C)(C)C)C2CC(OC(C)(C)C)CN12.
What is the InChIKey of 1,2,6-tris[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The InChIKey is HGZFUADIQPDZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO4/c1-21(2,3)26-15-18-20(29-24(10,11)12)19(28-23(7,8)9)17-13-16(14-25(17)18)27-22(4,5)6/h16-20H,13-15H2,1-12H3.
What are the key properties of 1,2,6-tris[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
1,2,6-tris[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 413.64 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-tris[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 172518077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).