1-[1-(3-methoxy-2-oxopropoxy)-3-[1-(3-methoxy-2-oxopropoxy)butan-2-yloxy]propan-2-yl]oxybutan-2-one

C19H34O9 — CID 59695630

IUPAC1-[1-(3-methoxy-2-oxopropoxy)-3-[1-(3-methoxy-2-oxopropoxy)butan-2-yloxy]propan-2-yl]oxybutan-2-one
SMILESCCC(=O)COC(COCC(=O)COC)COC(CC)COCC(=O)COC
InChIInChI=1S/C19H34O9/c1-5-15(20)11-27-19(13-26-10-17(22)8-24-4)14-28-18(6-2)12-25-9-16(21)7-23-3/h18-19H,5-14H2,1-4H3
InChIKeyINEGMJXCAUMPBQ-UHFFFAOYSA-N
MW406.47 g/mol
LogP0.61
Rot. Bonds20

About 1-[1-(3-methoxy-2-oxopropoxy)-3-[1-(3-methoxy-2-oxopropoxy)butan-2-yloxy]propan-2-yl]oxybutan-2-one

1-[1-(3-methoxy-2-oxopropoxy)-3-[1-(3-methoxy-2-oxopropoxy)butan-2-yloxy]propan-2-yl]oxybutan-2-one (PubChem CID 59695630) has the molecular formula C19H34O9 and a molecular weight of 406.47 g/mol. Its IUPAC name is 1-[1-(3-methoxy-2-oxopropoxy)-3-[1-(3-methoxy-2-oxopropoxy)butan-2-yloxy]propan-2-yl]oxybutan-2-one.

Molecular Properties

Compound Name1-[1-(3-methoxy-2-oxopropoxy)-3-[1-(3-methoxy-2-oxopropoxy)butan-2-yloxy]propan-2-yl]oxybutan-2-one
PubChem CID59695630
Molecular FormulaC19H34O9
Molecular Weight406.47 g/mol
Exact Mass406.22
IUPAC Name1-[1-(3-methoxy-2-oxopropoxy)-3-[1-(3-methoxy-2-oxopropoxy)butan-2-yloxy]propan-2-yl]oxybutan-2-one
SMILESCCC(=O)COC(COCC(=O)COC)COC(CC)COCC(=O)COC
InChIInChI=1S/C19H34O9/c1-5-15(20)11-27-19(13-26-10-17(22)8-24-4)14-28-18(6-2)12-25-9-16(21)7-23-3/h18-19H,5-14H2,1-4H3
InChIKeyINEGMJXCAUMPBQ-UHFFFAOYSA-N
XLogP0.61
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxy-2-oxopropoxy)-3-[1-(3-methoxy-2-oxopropoxy)butan-2-yloxy]propan-2-yl]oxybutan-2-one?
The IUPAC name of 1-[1-(3-methoxy-2-oxopropoxy)-3-[1-(3-methoxy-2-oxopropoxy)butan-2-yloxy]propan-2-yl]oxybutan-2-one (CID 59695630) is 1-[1-(3-methoxy-2-oxopropoxy)-3-[1-(3-methoxy-2-oxopropoxy)butan-2-yloxy]propan-2-yl]oxybutan-2-one.
What is the SMILES notation for 1-[1-(3-methoxy-2-oxopropoxy)-3-[1-(3-methoxy-2-oxopropoxy)butan-2-yloxy]propan-2-yl]oxybutan-2-one?
The canonical SMILES for 1-[1-(3-methoxy-2-oxopropoxy)-3-[1-(3-methoxy-2-oxopropoxy)butan-2-yloxy]propan-2-yl]oxybutan-2-one is CCC(=O)COC(COCC(=O)COC)COC(CC)COCC(=O)COC.
What is the InChIKey of 1-[1-(3-methoxy-2-oxopropoxy)-3-[1-(3-methoxy-2-oxopropoxy)butan-2-yloxy]propan-2-yl]oxybutan-2-one?
The InChIKey is INEGMJXCAUMPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O9/c1-5-15(20)11-27-19(13-26-10-17(22)8-24-4)14-28-18(6-2)12-25-9-16(21)7-23-3/h18-19H,5-14H2,1-4H3.
What are the key properties of 1-[1-(3-methoxy-2-oxopropoxy)-3-[1-(3-methoxy-2-oxopropoxy)butan-2-yloxy]propan-2-yl]oxybutan-2-one?
1-[1-(3-methoxy-2-oxopropoxy)-3-[1-(3-methoxy-2-oxopropoxy)butan-2-yloxy]propan-2-yl]oxybutan-2-one has a molecular weight of 406.47 g/mol, XLogP of 0.61, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxy-2-oxopropoxy)-3-[1-(3-methoxy-2-oxopropoxy)butan-2-yloxy]propan-2-yl]oxybutan-2-one is sourced from PubChem (CID 59695630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).