1-[2-[2,3-di(propan-2-yloxy)propoxy]propoxy]-2,3-di(propan-2-yloxy)propane

C21H44O6 — CID 135274448

IUPAC1-[2-[2,3-di(propan-2-yloxy)propoxy]propoxy]-2,3-di(propan-2-yloxy)propane
SMILESCC(C)OCC(COCC(C)OCC(COC(C)C)OC(C)C)OC(C)C
InChIInChI=1S/C21H44O6/c1-15(2)23-12-20(26-17(5)6)11-22-10-19(9)25-14-21(27-18(7)8)13-24-16(3)4/h15-21H,10-14H2,1-9H3
InChIKeyNUBAXSRYCFTMDK-UHFFFAOYSA-N
MW392.58 g/mol
LogP3.85
Rot. Bonds17

About 1-[2-[2,3-di(propan-2-yloxy)propoxy]propoxy]-2,3-di(propan-2-yloxy)propane

1-[2-[2,3-di(propan-2-yloxy)propoxy]propoxy]-2,3-di(propan-2-yloxy)propane (PubChem CID 135274448) has the molecular formula C21H44O6 and a molecular weight of 392.58 g/mol. Its IUPAC name is 1-[2-[2,3-di(propan-2-yloxy)propoxy]propoxy]-2,3-di(propan-2-yloxy)propane.

Molecular Properties

Compound Name1-[2-[2,3-di(propan-2-yloxy)propoxy]propoxy]-2,3-di(propan-2-yloxy)propane
PubChem CID135274448
Molecular FormulaC21H44O6
Molecular Weight392.58 g/mol
Exact Mass392.31
IUPAC Name1-[2-[2,3-di(propan-2-yloxy)propoxy]propoxy]-2,3-di(propan-2-yloxy)propane
SMILESCC(C)OCC(COCC(C)OCC(COC(C)C)OC(C)C)OC(C)C
InChIInChI=1S/C21H44O6/c1-15(2)23-12-20(26-17(5)6)11-22-10-19(9)25-14-21(27-18(7)8)13-24-16(3)4/h15-21H,10-14H2,1-9H3
InChIKeyNUBAXSRYCFTMDK-UHFFFAOYSA-N
XLogP3.85
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.58
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,3-di(propan-2-yloxy)propoxy]propoxy]-2,3-di(propan-2-yloxy)propane?
The IUPAC name of 1-[2-[2,3-di(propan-2-yloxy)propoxy]propoxy]-2,3-di(propan-2-yloxy)propane (CID 135274448) is 1-[2-[2,3-di(propan-2-yloxy)propoxy]propoxy]-2,3-di(propan-2-yloxy)propane.
What is the SMILES notation for 1-[2-[2,3-di(propan-2-yloxy)propoxy]propoxy]-2,3-di(propan-2-yloxy)propane?
The canonical SMILES for 1-[2-[2,3-di(propan-2-yloxy)propoxy]propoxy]-2,3-di(propan-2-yloxy)propane is CC(C)OCC(COCC(C)OCC(COC(C)C)OC(C)C)OC(C)C.
What is the InChIKey of 1-[2-[2,3-di(propan-2-yloxy)propoxy]propoxy]-2,3-di(propan-2-yloxy)propane?
The InChIKey is NUBAXSRYCFTMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O6/c1-15(2)23-12-20(26-17(5)6)11-22-10-19(9)25-14-21(27-18(7)8)13-24-16(3)4/h15-21H,10-14H2,1-9H3.
What are the key properties of 1-[2-[2,3-di(propan-2-yloxy)propoxy]propoxy]-2,3-di(propan-2-yloxy)propane?
1-[2-[2,3-di(propan-2-yloxy)propoxy]propoxy]-2,3-di(propan-2-yloxy)propane has a molecular weight of 392.58 g/mol, XLogP of 3.85, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,3-di(propan-2-yloxy)propoxy]propoxy]-2,3-di(propan-2-yloxy)propane is sourced from PubChem (CID 135274448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).