ethyl (Z)-3-(methoxymethoxy)but-2-enoate

C8H14O4 — CID 134937263

IUPACethyl (Z)-3-(methoxymethoxy)but-2-enoate
SMILESCCOC(=O)/C=C(/C)OCOC
InChIInChI=1S/C8H14O4/c1-4-11-8(9)5-7(2)12-6-10-3/h5H,4,6H2,1-3H3/b7-5-
InChIKeyBLDGQAVRPOWXMA-ALCCZGGFSA-N
MW174.20 g/mol
LogP1.07
Rot. Bonds5

About ethyl (Z)-3-(methoxymethoxy)but-2-enoate

ethyl (Z)-3-(methoxymethoxy)but-2-enoate (PubChem CID 134937263) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is ethyl (Z)-3-(methoxymethoxy)but-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(methoxymethoxy)but-2-enoate
PubChem CID134937263
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Nameethyl (Z)-3-(methoxymethoxy)but-2-enoate
SMILESCCOC(=O)/C=C(/C)OCOC
InChIInChI=1S/C8H14O4/c1-4-11-8(9)5-7(2)12-6-10-3/h5H,4,6H2,1-3H3/b7-5-
InChIKeyBLDGQAVRPOWXMA-ALCCZGGFSA-N
XLogP1.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl (2E)-3-ethoxy-2-butenoate
CID 5354173
2,2,6-Trimethyl-4H-1,3-dioxin-4-one
CID 79368
Ethyl 3-methoxy-2-butenoate
CID 6382292
2-Butenoic acid, 3-ethoxy-, ethyl ester
CID 79137
2-Butenoic acid, 2-propenylidene ester
CID 5354387
Ethyl 3-(acetoxy)crotonate
CID 5363789
2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI)
CID 6433527
2-Butenoic acid, 3-(acetyloxy)-, ethyl ester, (E)-
CID 6062768
Allyl 3-(acetoxy)but-2-enoate
CID 20836239
Ethyl 3-acetyloxybut-2-enoate
CID 99039
Methyl 3-ethoxy-2-butenoate
CID 15355279
(r,s)-4,5-Dimethoxy-5h-furan-2-one
CID 12615322

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(methoxymethoxy)but-2-enoate?
The IUPAC name of ethyl (Z)-3-(methoxymethoxy)but-2-enoate (CID 134937263) is ethyl (Z)-3-(methoxymethoxy)but-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(methoxymethoxy)but-2-enoate?
The canonical SMILES for ethyl (Z)-3-(methoxymethoxy)but-2-enoate is CCOC(=O)/C=C(/C)OCOC.
What is the InChIKey of ethyl (Z)-3-(methoxymethoxy)but-2-enoate?
The InChIKey is BLDGQAVRPOWXMA-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H14O4/c1-4-11-8(9)5-7(2)12-6-10-3/h5H,4,6H2,1-3H3/b7-5-.
What are the key properties of ethyl (Z)-3-(methoxymethoxy)but-2-enoate?
ethyl (Z)-3-(methoxymethoxy)but-2-enoate has a molecular weight of 174.20 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(methoxymethoxy)but-2-enoate is sourced from PubChem (CID 134937263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).