ethyl acetate;methanol;1-propoxypropane

C11H26O4 — CID 175234331

IUPACethyl acetate;methanol;1-propoxypropane
SMILESCCCOCCC.CCOC(C)=O.CO
InChIInChI=1S/C6H14O.C4H8O2.CH4O/c1-3-5-7-6-4-2;1-3-6-4(2)5;1-2/h3-6H2,1-2H3;3H2,1-2H3;2H,1H3
InChIKeyUQXBVPRGYMHXHF-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.00
Rot. Bonds5

About ethyl acetate;methanol;1-propoxypropane

ethyl acetate;methanol;1-propoxypropane (PubChem CID 175234331) has the molecular formula C11H26O4 and a molecular weight of 222.32 g/mol. Its IUPAC name is ethyl acetate;methanol;1-propoxypropane.

Molecular Properties

Compound Nameethyl acetate;methanol;1-propoxypropane
PubChem CID175234331
Molecular FormulaC11H26O4
Molecular Weight222.32 g/mol
Exact Mass222.18
IUPAC Nameethyl acetate;methanol;1-propoxypropane
SMILESCCCOCCC.CCOC(C)=O.CO
InChIInChI=1S/C6H14O.C4H8O2.CH4O/c1-3-5-7-6-4-2;1-3-6-4(2)5;1-2/h3-6H2,1-2H3;3H2,1-2H3;2H,1H3
InChIKeyUQXBVPRGYMHXHF-UHFFFAOYSA-N
XLogP2.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl acetate;methanol;1-propoxypropane?
The IUPAC name of ethyl acetate;methanol;1-propoxypropane (CID 175234331) is ethyl acetate;methanol;1-propoxypropane.
What is the SMILES notation for ethyl acetate;methanol;1-propoxypropane?
The canonical SMILES for ethyl acetate;methanol;1-propoxypropane is CCCOCCC.CCOC(C)=O.CO.
What is the InChIKey of ethyl acetate;methanol;1-propoxypropane?
The InChIKey is UQXBVPRGYMHXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C4H8O2.CH4O/c1-3-5-7-6-4-2;1-3-6-4(2)5;1-2/h3-6H2,1-2H3;3H2,1-2H3;2H,1H3.
What are the key properties of ethyl acetate;methanol;1-propoxypropane?
ethyl acetate;methanol;1-propoxypropane has a molecular weight of 222.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;methanol;1-propoxypropane is sourced from PubChem (CID 175234331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).