methyl 2-cyano-4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethyl]butanoate

C14H25NO6 — CID 11587543

IUPACmethyl 2-cyano-4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethyl]butanoate
SMILESCOCCOCCC(C#N)(CCOCCOC)C(=O)OC
InChIInChI=1S/C14H25NO6/c1-17-8-10-20-6-4-14(12-15,13(16)19-3)5-7-21-11-9-18-2/h4-11H2,1-3H3
InChIKeyGVIFBXQPRBXEAM-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.78
Rot. Bonds13

About methyl 2-cyano-4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethyl]butanoate

methyl 2-cyano-4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethyl]butanoate (PubChem CID 11587543) has the molecular formula C14H25NO6 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl 2-cyano-4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethyl]butanoate.

Molecular Properties

Compound Namemethyl 2-cyano-4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethyl]butanoate
PubChem CID11587543
Molecular FormulaC14H25NO6
Molecular Weight303.36 g/mol
Exact Mass303.17
IUPAC Namemethyl 2-cyano-4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethyl]butanoate
SMILESCOCCOCCC(C#N)(CCOCCOC)C(=O)OC
InChIInChI=1S/C14H25NO6/c1-17-8-10-20-6-4-14(12-15,13(16)19-3)5-7-21-11-9-18-2/h4-11H2,1-3H3
InChIKeyGVIFBXQPRBXEAM-UHFFFAOYSA-N
XLogP0.78
TPSA87.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-4-methoxy-2-(2-methoxyethyl)butanoic acid;methyl 2-cyano-4-methoxy-2-(2-methoxyethyl)butanoate
CID 161483435
2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile
CID 104564895
trimethyl (2R)-2-cyanobutane-1,2,4-tricarboxylate
CID 125499499
2-[2-(2-methoxyethoxy)ethyl]-2-prop-2-enylpent-4-enenitrile
CID 174183378
methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate
CID 103400749
methyl 5-methoxy-2,2-dimethylpentanoate
CID 89066099
ethene;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 87459571
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 103179755
methyl 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoate
CID 103179847

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyano-4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethyl]butanoate?
The IUPAC name of methyl 2-cyano-4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethyl]butanoate (CID 11587543) is methyl 2-cyano-4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethyl]butanoate.
What is the SMILES notation for methyl 2-cyano-4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethyl]butanoate?
The canonical SMILES for methyl 2-cyano-4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethyl]butanoate is COCCOCCC(C#N)(CCOCCOC)C(=O)OC.
What is the InChIKey of methyl 2-cyano-4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethyl]butanoate?
The InChIKey is GVIFBXQPRBXEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO6/c1-17-8-10-20-6-4-14(12-15,13(16)19-3)5-7-21-11-9-18-2/h4-11H2,1-3H3.
What are the key properties of methyl 2-cyano-4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethyl]butanoate?
methyl 2-cyano-4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethyl]butanoate has a molecular weight of 303.36 g/mol, XLogP of 0.78, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyano-4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethyl]butanoate is sourced from PubChem (CID 11587543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).