1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid

C11H18O4 — CID 174797492

IUPAC1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid
SMILESC=COCCOC=C.CC=C(C)C(=O)O
InChIInChI=1S/C6H10O2.C5H8O2/c1-3-7-5-6-8-4-2;1-3-4(2)5(6)7/h3-4H,1-2,5-6H2;3H,1-2H3,(H,6,7)
InChIKeyPQVLQHNPOQKGKO-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.34
Rot. Bonds6

About 1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid

1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid (PubChem CID 174797492) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid.

Molecular Properties

Compound Name1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid
PubChem CID174797492
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid
SMILESC=COCCOC=C.CC=C(C)C(=O)O
InChIInChI=1S/C6H10O2.C5H8O2/c1-3-7-5-6-8-4-2;1-3-4(2)5(6)7/h3-4H,1-2,5-6H2;3H,1-2H3,(H,6,7)
InChIKeyPQVLQHNPOQKGKO-UHFFFAOYSA-N
XLogP2.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid
CID 173009851
acetic acid;2-ethenoxyethanol
CID 71400985
(E)-2-methylbut-2-enoic acid;hydrochloride
CID 87583281
2-methylbut-2-enoic acid;yttrium
CID 76824008
acetic acid;(E)-2-methylbut-2-enoic acid
CID 88739712
2-methylbut-2-enoic acid;silane
CID 173038853
1-ethenoxy-2-methoxyethane
CID 15457
2-(2-ethenoxyethoxy)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 175561109
2-methylbut-2-enoic acid;prop-2-enyl 2-methylprop-2-enoate
CID 173460089
bis(2-[2-(2-hydroxyethoxy)ethoxy]ethanol);2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid)
CID 174624671
2-ethenoxyethyl 2-methylprop-2-enoate
CID 15105
N,N-dimethylmethanamine;(E)-2-methylbut-2-enoic acid
CID 173038911

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid?
The IUPAC name of 1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid (CID 174797492) is 1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid.
What is the SMILES notation for 1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid?
The canonical SMILES for 1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid is C=COCCOC=C.CC=C(C)C(=O)O.
What is the InChIKey of 1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid?
The InChIKey is PQVLQHNPOQKGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C5H8O2/c1-3-7-5-6-8-4-2;1-3-4(2)5(6)7/h3-4H,1-2,5-6H2;3H,1-2H3,(H,6,7).
What are the key properties of 1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid?
1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid has a molecular weight of 214.26 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid is sourced from PubChem (CID 174797492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).