ethene;1-methoxypropan-2-yl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate

C14H24O7 — CID 90790206

IUPACethene;1-methoxypropan-2-yl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate
SMILESC=C.COCC(C)OC(=O)CC(=O)C(C)OC(=O)C(C)O
InChIInChI=1S/C12H20O7.C2H4/c1-7(6-17-4)18-11(15)5-10(14)9(3)19-12(16)8(2)13;1-2/h7-9,13H,5-6H2,1-4H3;1-2H2
InChIKeySWOKQPQYCYSPON-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.64
Rot. Bonds8

About ethene;1-methoxypropan-2-yl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate

ethene;1-methoxypropan-2-yl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate (PubChem CID 90790206) has the molecular formula C14H24O7 and a molecular weight of 304.34 g/mol. Its IUPAC name is ethene;1-methoxypropan-2-yl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate.

Molecular Properties

Compound Nameethene;1-methoxypropan-2-yl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate
PubChem CID90790206
Molecular FormulaC14H24O7
Molecular Weight304.34 g/mol
Exact Mass304.15
IUPAC Nameethene;1-methoxypropan-2-yl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate
SMILESC=C.COCC(C)OC(=O)CC(=O)C(C)OC(=O)C(C)O
InChIInChI=1S/C12H20O7.C2H4/c1-7(6-17-4)18-11(15)5-10(14)9(3)19-12(16)8(2)13;1-2/h7-9,13H,5-6H2,1-4H3;1-2H2
InChIKeySWOKQPQYCYSPON-UHFFFAOYSA-N
XLogP0.64
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;1-methoxypropan-2-yl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate?
The IUPAC name of ethene;1-methoxypropan-2-yl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate (CID 90790206) is ethene;1-methoxypropan-2-yl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate.
What is the SMILES notation for ethene;1-methoxypropan-2-yl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate?
The canonical SMILES for ethene;1-methoxypropan-2-yl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate is C=C.COCC(C)OC(=O)CC(=O)C(C)OC(=O)C(C)O.
What is the InChIKey of ethene;1-methoxypropan-2-yl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate?
The InChIKey is SWOKQPQYCYSPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O7.C2H4/c1-7(6-17-4)18-11(15)5-10(14)9(3)19-12(16)8(2)13;1-2/h7-9,13H,5-6H2,1-4H3;1-2H2.
What are the key properties of ethene;1-methoxypropan-2-yl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate?
ethene;1-methoxypropan-2-yl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate has a molecular weight of 304.34 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-methoxypropan-2-yl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate is sourced from PubChem (CID 90790206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).