methyl (Z)-2-ethenoxybut-2-enoate

C7H10O3 — CID 143080515

IUPACmethyl (Z)-2-ethenoxybut-2-enoate
SMILESC=CO/C(=C\C)C(=O)OC
InChIInChI=1S/C7H10O3/c1-4-6(10-5-2)7(8)9-3/h4-5H,2H2,1,3H3/b6-4-
InChIKeyUAVNDIGPCHQSEL-XQRVVYSFSA-N
MW142.15 g/mol
LogP1.22
Rot. Bonds3

About methyl (Z)-2-ethenoxybut-2-enoate

methyl (Z)-2-ethenoxybut-2-enoate (PubChem CID 143080515) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is methyl (Z)-2-ethenoxybut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-ethenoxybut-2-enoate
PubChem CID143080515
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namemethyl (Z)-2-ethenoxybut-2-enoate
SMILESC=CO/C(=C\C)C(=O)OC
InChIInChI=1S/C7H10O3/c1-4-6(10-5-2)7(8)9-3/h4-5H,2H2,1,3H3/b6-4-
InChIKeyUAVNDIGPCHQSEL-XQRVVYSFSA-N
XLogP1.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-ethenoxybut-2-enoic acid
CID 142329685
4-ethenoxy-2-methylhex-4-en-3-one
CID 90754214
ethenyl acetate;methyl 2-methylprop-2-enoate
CID 22003389
4-ethenoxy-2-methylhexa-1,4-dien-3-one
CID 123413127
methyl (Z)-2-(methylideneamino)oxybut-2-enoate
CID 142544311
ethenyl 2-acetyloxybut-2-enoate
CID 174371549
acetylene;methyl (Z)-2-(methylideneamino)oxybut-2-enoate
CID 142544310
methyl 2-carbamoyloxybut-2-enoate
CID 173435391
methyl (E)-2-dimethoxyphosphoryloxybut-2-enoate
CID 129384587
ethenyl N-methoxycarbamate
CID 59601717
5-O-ethenyl 1-O-methyl (E)-2-methylpent-2-enedioate
CID 57466049
dimethyl oxalate
CID 11120

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-ethenoxybut-2-enoate?
The IUPAC name of methyl (Z)-2-ethenoxybut-2-enoate (CID 143080515) is methyl (Z)-2-ethenoxybut-2-enoate.
What is the SMILES notation for methyl (Z)-2-ethenoxybut-2-enoate?
The canonical SMILES for methyl (Z)-2-ethenoxybut-2-enoate is C=CO/C(=C\C)C(=O)OC.
What is the InChIKey of methyl (Z)-2-ethenoxybut-2-enoate?
The InChIKey is UAVNDIGPCHQSEL-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-6(10-5-2)7(8)9-3/h4-5H,2H2,1,3H3/b6-4-.
What are the key properties of methyl (Z)-2-ethenoxybut-2-enoate?
methyl (Z)-2-ethenoxybut-2-enoate has a molecular weight of 142.15 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-ethenoxybut-2-enoate is sourced from PubChem (CID 143080515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).