1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate

C15H30O5 — CID 87296802

IUPAC1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate
SMILESCC(=O)OC(C)COC(C)COC(C)COCC(C)C
InChIInChI=1S/C15H30O5/c1-11(2)7-17-8-12(3)18-9-13(4)19-10-14(5)20-15(6)16/h11-14H,7-10H2,1-6H3
InChIKeyHBISQGMNQWUFBE-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.42
Rot. Bonds11

About 1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate

1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate (PubChem CID 87296802) has the molecular formula C15H30O5 and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate.

Molecular Properties

Compound Name1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate
PubChem CID87296802
Molecular FormulaC15H30O5
Molecular Weight290.40 g/mol
Exact Mass290.21
IUPAC Name1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate
SMILESCC(=O)OC(C)COC(C)COC(C)COCC(C)C
InChIInChI=1S/C15H30O5/c1-11(2)7-17-8-12(3)18-9-13(4)19-10-14(5)20-15(6)16/h11-14H,7-10H2,1-6H3
InChIKeyHBISQGMNQWUFBE-UHFFFAOYSA-N
XLogP2.42
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate?
The IUPAC name of 1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate (CID 87296802) is 1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate.
What is the SMILES notation for 1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate?
The canonical SMILES for 1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate is CC(=O)OC(C)COC(C)COC(C)COCC(C)C.
What is the InChIKey of 1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate?
The InChIKey is HBISQGMNQWUFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5/c1-11(2)7-17-8-12(3)18-9-13(4)19-10-14(5)20-15(6)16/h11-14H,7-10H2,1-6H3.
What are the key properties of 1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate?
1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate has a molecular weight of 290.40 g/mol, XLogP of 2.42, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate is sourced from PubChem (CID 87296802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).