methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate

C11H22O6 — CID 10586756

IUPACmethyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate
SMILESCOC(=O)CCCOCCOCCOCCO
InChIInChI=1S/C11H22O6/c1-14-11(13)3-2-5-15-7-9-17-10-8-16-6-4-12/h12H,2-10H2,1H3
InChIKeyCMMMAJODIIJEGH-UHFFFAOYSA-N
MW250.29 g/mol
LogP-0.02
Rot. Bonds12

About methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate

methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate (PubChem CID 10586756) has the molecular formula C11H22O6 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate
PubChem CID10586756
Molecular FormulaC11H22O6
Molecular Weight250.29 g/mol
Exact Mass250.14
IUPAC Namemethyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate
SMILESCOC(=O)CCCOCCOCCOCCO
InChIInChI=1S/C11H22O6/c1-14-11(13)3-2-5-15-7-9-17-10-8-16-6-4-12/h12H,2-10H2,1H3
InChIKeyCMMMAJODIIJEGH-UHFFFAOYSA-N
XLogP-0.02
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470261
methyl 6-(9-hydroxynonoxy)hexanoate
CID 139893543
methyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469998
dimethyl butanedioate;dimethyl hexanedioate;dimethyl pentanedioate;2-(2-hydroxyethoxy)ethanol;propane-1,2,3-triol
CID 170852906
methyl 4-heptoxybutanoate
CID 43378175
methyl 4-[2-(methylamino)ethoxy]butanoate
CID 82353174
dimethyl hexanedioate;stannane
CID 173290076
methyl 4-[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]butanoate
CID 58807542
4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 178004606
methyl 4-methoxybutanoate
CID 542317
methyl 3-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoate
CID 61076958
methyl 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoate
CID 164593219

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate?
The IUPAC name of methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate (CID 10586756) is methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate.
What is the SMILES notation for methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate?
The canonical SMILES for methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate is COC(=O)CCCOCCOCCOCCO.
What is the InChIKey of methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate?
The InChIKey is CMMMAJODIIJEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O6/c1-14-11(13)3-2-5-15-7-9-17-10-8-16-6-4-12/h12H,2-10H2,1H3.
What are the key properties of methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate?
methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate has a molecular weight of 250.29 g/mol, XLogP of -0.02, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate is sourced from PubChem (CID 10586756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).