2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate

C11H20O5 — CID 88500447

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate
SMILESC=C(CC)C(=O)OCCOCCOCCO
InChIInChI=1S/C11H20O5/c1-3-10(2)11(13)16-9-8-15-7-6-14-5-4-12/h12H,2-9H2,1H3
InChIKeyIGUGMSKVRFFDEH-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.52
Rot. Bonds10

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate (PubChem CID 88500447) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate
PubChem CID88500447
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate
SMILESC=C(CC)C(=O)OCCOCCOCCO
InChIInChI=1S/C11H20O5/c1-3-10(2)11(13)16-9-8-15-7-6-14-5-4-12/h12H,2-9H2,1H3
InChIKeyIGUGMSKVRFFDEH-UHFFFAOYSA-N
XLogP0.52
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

hexyl 2-methylidenebutanoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 87673238
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methoxyprop-2-enoate
CID 175188156
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
3-hydroxypropyl 2-methylidenebutanoate
CID 54326039
2-[2-(2-but-1-en-2-yloxyethoxy)ethoxy]ethanol
CID 18913851
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate
CID 87550777
2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate
CID 174488486
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate
CID 89311377
2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate
CID 87287527
2-(2-hydroxyethoxy)ethyl 2-carbamoylprop-2-enoate
CID 118963165
octadecyl 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]prop-2-enoate
CID 87894967

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate (CID 88500447) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate is C=C(CC)C(=O)OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate?
The InChIKey is IGUGMSKVRFFDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-3-10(2)11(13)16-9-8-15-7-6-14-5-4-12/h12H,2-9H2,1H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate has a molecular weight of 232.28 g/mol, XLogP of 0.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate is sourced from PubChem (CID 88500447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).