2-[2-(2-methoxyethoxy)ethoxy]hexanoate

C11H21O5- — CID 18318667

IUPAC2-[2-(2-methoxyethoxy)ethoxy]hexanoate
SMILESCCCCC(OCCOCCOC)C(=O)[O-]
InChIInChI=1S/C11H22O5/c1-3-4-5-10(11(12)13)16-9-8-15-7-6-14-2/h10H,3-9H2,1-2H3,(H,12,13)/p-1
InChIKeyGZCXOYHTXYFYKN-UHFFFAOYSA-M
MW233.28 g/mol
LogP-0.03
Rot. Bonds11

About 2-[2-(2-methoxyethoxy)ethoxy]hexanoate

2-[2-(2-methoxyethoxy)ethoxy]hexanoate (PubChem CID 18318667) has the molecular formula C11H21O5- and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]hexanoate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]hexanoate
PubChem CID18318667
Molecular FormulaC11H21O5-
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]hexanoate
SMILESCCCCC(OCCOCCOC)C(=O)[O-]
InChIInChI=1S/C11H22O5/c1-3-4-5-10(11(12)13)16-9-8-15-7-6-14-2/h10H,3-9H2,1-2H3,(H,12,13)/p-1
InChIKeyGZCXOYHTXYFYKN-UHFFFAOYSA-M
XLogP-0.03
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cerium(3+);tris(2-ethoxyhexanoate)
CID 22559432
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
tetrakis(2-butoxy-16-methylheptadecanoate);zirconium(4+)
CID 160561053
2-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 18318699
2-(3-nonoxypropoxy)hexanoic acid
CID 175887191
5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]nonane
CID 150891032
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane carbonate
CID 23366578
2-[2-(3-methoxypropoxy)ethoxy]pentanehydrazide
CID 103175980
4-(2-butoxyethoxy)-2-(4-methoxyphenoxy)butanoate
CID 57360215
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate
CID 140579321
diazanium;2-butyl-5-ethoxyhexanedioate
CID 156787256
(2S)-2-methoxyhexanoic acid
CID 129373931

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]hexanoate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]hexanoate (CID 18318667) is 2-[2-(2-methoxyethoxy)ethoxy]hexanoate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]hexanoate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]hexanoate is CCCCC(OCCOCCOC)C(=O)[O-].
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]hexanoate?
The InChIKey is GZCXOYHTXYFYKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H22O5/c1-3-4-5-10(11(12)13)16-9-8-15-7-6-14-2/h10H,3-9H2,1-2H3,(H,12,13)/p-1.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]hexanoate?
2-[2-(2-methoxyethoxy)ethoxy]hexanoate has a molecular weight of 233.28 g/mol, XLogP of -0.03, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]hexanoate is sourced from PubChem (CID 18318667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).