methane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate

C22H48O8 — CID 158841487

IUPACmethane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate
SMILESC.C.C.C.COCCCCOC(=O)CCC(C)=O.COCCOC(=O)CCC(C)=O
InChIInChI=1S/C10H18O4.C8H14O4.4CH4/c1-9(11)5-6-10(12)14-8-4-3-7-13-2;1-7(9)3-4-8(10)12-6-5-11-2;;;;/h3-8H2,1-2H3;3-6H2,1-2H3;4*1H4
InChIKeyIYHLQLVQXLNFHT-UHFFFAOYSA-N
MW440.62 g/mol
LogP4.41
Rot. Bonds14

About methane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate

methane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate (PubChem CID 158841487) has the molecular formula C22H48O8 and a molecular weight of 440.62 g/mol. Its IUPAC name is methane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate.

Molecular Properties

Compound Namemethane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate
PubChem CID158841487
Molecular FormulaC22H48O8
Molecular Weight440.62 g/mol
Exact Mass440.33
IUPAC Namemethane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate
SMILESC.C.C.C.COCCCCOC(=O)CCC(C)=O.COCCOC(=O)CCC(C)=O
InChIInChI=1S/C10H18O4.C8H14O4.4CH4/c1-9(11)5-6-10(12)14-8-4-3-7-13-2;1-7(9)3-4-8(10)12-6-5-11-2;;;;/h3-8H2,1-2H3;3-6H2,1-2H3;4*1H4
InChIKeyIYHLQLVQXLNFHT-UHFFFAOYSA-N
XLogP4.41
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.62
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate?
The IUPAC name of methane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate (CID 158841487) is methane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate.
What is the SMILES notation for methane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate?
The canonical SMILES for methane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate is C.C.C.C.COCCCCOC(=O)CCC(C)=O.COCCOC(=O)CCC(C)=O.
What is the InChIKey of methane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate?
The InChIKey is IYHLQLVQXLNFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.C8H14O4.4CH4/c1-9(11)5-6-10(12)14-8-4-3-7-13-2;1-7(9)3-4-8(10)12-6-5-11-2;;;;/h3-8H2,1-2H3;3-6H2,1-2H3;4*1H4.
What are the key properties of methane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate?
methane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate has a molecular weight of 440.62 g/mol, XLogP of 4.41, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate is sourced from PubChem (CID 158841487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).