1-O-methyl 4-O-[2-(2-methylprop-2-enoxy)ethyl] butanedioate

C11H18O5 — CID 123402885

IUPAC1-O-methyl 4-O-[2-(2-methylprop-2-enoxy)ethyl] butanedioate
SMILESC=C(C)COCCOC(=O)CCC(=O)OC
InChIInChI=1S/C11H18O5/c1-9(2)8-15-6-7-16-11(13)5-4-10(12)14-3/h1,4-8H2,2-3H3
InChIKeyGYVIMFTXSRXVBP-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.08
Rot. Bonds8

About 1-O-methyl 4-O-[2-(2-methylprop-2-enoxy)ethyl] butanedioate

1-O-methyl 4-O-[2-(2-methylprop-2-enoxy)ethyl] butanedioate (PubChem CID 123402885) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-O-methyl 4-O-[2-(2-methylprop-2-enoxy)ethyl] butanedioate.

Molecular Properties

Compound Name1-O-methyl 4-O-[2-(2-methylprop-2-enoxy)ethyl] butanedioate
PubChem CID123402885
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name1-O-methyl 4-O-[2-(2-methylprop-2-enoxy)ethyl] butanedioate
SMILESC=C(C)COCCOC(=O)CCC(=O)OC
InChIInChI=1S/C11H18O5/c1-9(2)8-15-6-7-16-11(13)5-4-10(12)14-3/h1,4-8H2,2-3H3
InChIKeyGYVIMFTXSRXVBP-UHFFFAOYSA-N
XLogP1.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-O-methyl 4-O-[2-(2-methylprop-2-enoylamino)ethyl] butanedioate
CID 88908253
ethane;2-[4-(2-methylprop-2-enoxy)butanoyloxy]ethyl 4-(2-aminoethylamino)-4-oxobutanoate;molecular hydrogen
CID 168904058
1-O-methyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] pentanedioate
CID 19981207
2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 90396446
1-O-methyl 3-O-(2-methylprop-2-enyl) propanedioate
CID 15370869
1-O-[2-(2-methoxyethoxy)ethyl] 2-O-[2-[2-(3-methylbut-3-enoyloxy)ethoxy]ethyl] oxalate
CID 146182065
methyl 2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 4170388
methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate
CID 71676237
methyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate
CID 25221074
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467833
(2S)-5-methoxy-2-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]-5-oxopentanoic acid
CID 107829317
methyl 6-methylhept-6-enoate
CID 12590016

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 4-O-[2-(2-methylprop-2-enoxy)ethyl] butanedioate?
The IUPAC name of 1-O-methyl 4-O-[2-(2-methylprop-2-enoxy)ethyl] butanedioate (CID 123402885) is 1-O-methyl 4-O-[2-(2-methylprop-2-enoxy)ethyl] butanedioate.
What is the SMILES notation for 1-O-methyl 4-O-[2-(2-methylprop-2-enoxy)ethyl] butanedioate?
The canonical SMILES for 1-O-methyl 4-O-[2-(2-methylprop-2-enoxy)ethyl] butanedioate is C=C(C)COCCOC(=O)CCC(=O)OC.
What is the InChIKey of 1-O-methyl 4-O-[2-(2-methylprop-2-enoxy)ethyl] butanedioate?
The InChIKey is GYVIMFTXSRXVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-9(2)8-15-6-7-16-11(13)5-4-10(12)14-3/h1,4-8H2,2-3H3.
What are the key properties of 1-O-methyl 4-O-[2-(2-methylprop-2-enoxy)ethyl] butanedioate?
1-O-methyl 4-O-[2-(2-methylprop-2-enoxy)ethyl] butanedioate has a molecular weight of 230.26 g/mol, XLogP of 1.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 4-O-[2-(2-methylprop-2-enoxy)ethyl] butanedioate is sourced from PubChem (CID 123402885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).