2-[2-[[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxymethyl]-3-[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-[[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxymethyl]propoxy]-2-methylpropan-1-ol

C40H85N3O8 — CID 174354791

IUPAC2-[2-[[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxymethyl]-3-[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-[[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxymethyl]propoxy]-2-methylpropan-1-ol
SMILESCC(C)(CO)OCC(COC(C)(C)CCOC(C)(C)CCCN)(COC(C)(C)COC(C)(C)CCCN)COC(C)(C)COC(C)(C)CCCN
InChIInChI=1S/C40H85N3O8/c1-33(2,18-15-22-41)45-25-21-36(7,8)48-29-40(30-49-37(9,10)26-44,31-50-38(11,12)27-46-34(3,4)19-16-23-42)32-51-39(13,14)28-47-35(5,6)20-17-24-43/h44H,15-32,41-43H2,1-14H3
InChIKeyKINRATBASCEUDI-UHFFFAOYSA-N
MW736.13 g/mol
LogP6.14
Rot. Bonds32

About 2-[2-[[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxymethyl]-3-[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-[[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxymethyl]propoxy]-2-methylpropan-1-ol

2-[2-[[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxymethyl]-3-[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-[[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxymethyl]propoxy]-2-methylpropan-1-ol (PubChem CID 174354791) has the molecular formula C40H85N3O8 and a molecular weight of 736.13 g/mol. Its IUPAC name is 2-[2-[[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxymethyl]-3-[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-[[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxymethyl]propoxy]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2-[[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxymethyl]-3-[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-[[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxymethyl]propoxy]-2-methylpropan-1-ol
PubChem CID174354791
Molecular FormulaC40H85N3O8
Molecular Weight736.13 g/mol
Exact Mass735.63
IUPAC Name2-[2-[[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxymethyl]-3-[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-[[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxymethyl]propoxy]-2-methylpropan-1-ol
SMILESCC(C)(CO)OCC(COC(C)(C)CCOC(C)(C)CCCN)(COC(C)(C)COC(C)(C)CCCN)COC(C)(C)COC(C)(C)CCCN
InChIInChI=1S/C40H85N3O8/c1-33(2,18-15-22-41)45-25-21-36(7,8)48-29-40(30-49-37(9,10)26-44,31-50-38(11,12)27-46-34(3,4)19-16-23-42)32-51-39(13,14)28-47-35(5,6)20-17-24-43/h44H,15-32,41-43H2,1-14H3
InChIKeyKINRATBASCEUDI-UHFFFAOYSA-N
XLogP6.14
TPSA162.90 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds32
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500736.13
LogP ≤ 56.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 2-[2-[[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxymethyl]-3-[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-[[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxymethyl]propoxy]-2-methylpropan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxymethyl]-3-[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-[[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxymethyl]propoxy]-2-methylpropan-1-ol?
The IUPAC name of 2-[2-[[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxymethyl]-3-[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-[[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxymethyl]propoxy]-2-methylpropan-1-ol (CID 174354791) is 2-[2-[[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxymethyl]-3-[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-[[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxymethyl]propoxy]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2-[[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxymethyl]-3-[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-[[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxymethyl]propoxy]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2-[[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxymethyl]-3-[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-[[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxymethyl]propoxy]-2-methylpropan-1-ol is CC(C)(CO)OCC(COC(C)(C)CCOC(C)(C)CCCN)(COC(C)(C)COC(C)(C)CCCN)COC(C)(C)COC(C)(C)CCCN.
What is the InChIKey of 2-[2-[[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxymethyl]-3-[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-[[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxymethyl]propoxy]-2-methylpropan-1-ol?
The InChIKey is KINRATBASCEUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H85N3O8/c1-33(2,18-15-22-41)45-25-21-36(7,8)48-29-40(30-49-37(9,10)26-44,31-50-38(11,12)27-46-34(3,4)19-16-23-42)32-51-39(13,14)28-47-35(5,6)20-17-24-43/h44H,15-32,41-43H2,1-14H3.
What are the key properties of 2-[2-[[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxymethyl]-3-[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-[[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxymethyl]propoxy]-2-methylpropan-1-ol?
2-[2-[[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxymethyl]-3-[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-[[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxymethyl]propoxy]-2-methylpropan-1-ol has a molecular weight of 736.13 g/mol, XLogP of 6.14, 32 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxymethyl]-3-[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-[[1-(5-amino-2-methylpentan-2-yl)oxy-2-methylpropan-2-yl]oxymethyl]propoxy]-2-methylpropan-1-ol is sourced from PubChem (CID 174354791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).