propanoyloxymethyl 2-[4-[1-oxo-1-(propanoyloxymethoxy)propan-2-yl]oxolan-3-yl]propanoate

C18H28O9 — CID 153281111

IUPACpropanoyloxymethyl 2-[4-[1-oxo-1-(propanoyloxymethoxy)propan-2-yl]oxolan-3-yl]propanoate
SMILESCCC(=O)OCOC(=O)C(C)C1COCC1C(C)C(=O)OCOC(=O)CC
InChIInChI=1S/C18H28O9/c1-5-15(19)24-9-26-17(21)11(3)13-7-23-8-14(13)12(4)18(22)27-10-25-16(20)6-2/h11-14H,5-10H2,1-4H3
InChIKeyMOZZRXDUSDLHCS-UHFFFAOYSA-N
MW388.41 g/mol
LogP1.43
Rot. Bonds10

About propanoyloxymethyl 2-[4-[1-oxo-1-(propanoyloxymethoxy)propan-2-yl]oxolan-3-yl]propanoate

propanoyloxymethyl 2-[4-[1-oxo-1-(propanoyloxymethoxy)propan-2-yl]oxolan-3-yl]propanoate (PubChem CID 153281111) has the molecular formula C18H28O9 and a molecular weight of 388.41 g/mol. Its IUPAC name is propanoyloxymethyl 2-[4-[1-oxo-1-(propanoyloxymethoxy)propan-2-yl]oxolan-3-yl]propanoate.

Molecular Properties

Compound Namepropanoyloxymethyl 2-[4-[1-oxo-1-(propanoyloxymethoxy)propan-2-yl]oxolan-3-yl]propanoate
PubChem CID153281111
Molecular FormulaC18H28O9
Molecular Weight388.41 g/mol
Exact Mass388.17
IUPAC Namepropanoyloxymethyl 2-[4-[1-oxo-1-(propanoyloxymethoxy)propan-2-yl]oxolan-3-yl]propanoate
SMILESCCC(=O)OCOC(=O)C(C)C1COCC1C(C)C(=O)OCOC(=O)CC
InChIInChI=1S/C18H28O9/c1-5-15(19)24-9-26-17(21)11(3)13-7-23-8-14(13)12(4)18(22)27-10-25-16(20)6-2/h11-14H,5-10H2,1-4H3
InChIKeyMOZZRXDUSDLHCS-UHFFFAOYSA-N
XLogP1.43
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propanoyloxymethyl 2-[4-[1-oxo-1-(propanoyloxymethoxy)propan-2-yl]oxolan-3-yl]propanoate?
The IUPAC name of propanoyloxymethyl 2-[4-[1-oxo-1-(propanoyloxymethoxy)propan-2-yl]oxolan-3-yl]propanoate (CID 153281111) is propanoyloxymethyl 2-[4-[1-oxo-1-(propanoyloxymethoxy)propan-2-yl]oxolan-3-yl]propanoate.
What is the SMILES notation for propanoyloxymethyl 2-[4-[1-oxo-1-(propanoyloxymethoxy)propan-2-yl]oxolan-3-yl]propanoate?
The canonical SMILES for propanoyloxymethyl 2-[4-[1-oxo-1-(propanoyloxymethoxy)propan-2-yl]oxolan-3-yl]propanoate is CCC(=O)OCOC(=O)C(C)C1COCC1C(C)C(=O)OCOC(=O)CC.
What is the InChIKey of propanoyloxymethyl 2-[4-[1-oxo-1-(propanoyloxymethoxy)propan-2-yl]oxolan-3-yl]propanoate?
The InChIKey is MOZZRXDUSDLHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O9/c1-5-15(19)24-9-26-17(21)11(3)13-7-23-8-14(13)12(4)18(22)27-10-25-16(20)6-2/h11-14H,5-10H2,1-4H3.
What are the key properties of propanoyloxymethyl 2-[4-[1-oxo-1-(propanoyloxymethoxy)propan-2-yl]oxolan-3-yl]propanoate?
propanoyloxymethyl 2-[4-[1-oxo-1-(propanoyloxymethoxy)propan-2-yl]oxolan-3-yl]propanoate has a molecular weight of 388.41 g/mol, XLogP of 1.43, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propanoyloxymethyl 2-[4-[1-oxo-1-(propanoyloxymethoxy)propan-2-yl]oxolan-3-yl]propanoate is sourced from PubChem (CID 153281111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).