4-methoxybut-2-en-2-olate

C5H9O2- — CID 58028382

IUPAC4-methoxybut-2-en-2-olate
SMILESCOCC=C(C)[O-]
InChIInChI=1S/C5H10O2/c1-5(6)3-4-7-2/h3,6H,4H2,1-2H3/p-1
InChIKeyRIFJGWRVQROVQW-UHFFFAOYSA-M
MW101.12 g/mol
LogP-0.10
Rot. Bonds2

About 4-methoxybut-2-en-2-olate

4-methoxybut-2-en-2-olate (PubChem CID 58028382) has the molecular formula C5H9O2- and a molecular weight of 101.12 g/mol. Its IUPAC name is 4-methoxybut-2-en-2-olate.

Molecular Properties

Compound Name4-methoxybut-2-en-2-olate
PubChem CID58028382
Molecular FormulaC5H9O2-
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name4-methoxybut-2-en-2-olate
SMILESCOCC=C(C)[O-]
InChIInChI=1S/C5H10O2/c1-5(6)3-4-7-2/h3,6H,4H2,1-2H3/p-1
InChIKeyRIFJGWRVQROVQW-UHFFFAOYSA-M
XLogP-0.10
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-hydroxy-5-methoxypent-3-en-2-one
CID 6439831
(Z)-1-methoxy-3-methylpent-2-ene
CID 102323192
ethane;(Z)-1-methoxy-3-methylpent-2-ene
CID 168979167
(Z)-1,5-dimethoxy-3-methylpent-2-ene
CID 146216379
(E)-6-methoxy-4-methylhex-4-enal
CID 59967277
2-(4-methoxybut-2-en-2-yl)-1,3-dioxolane
CID 54355827
(6E)-8-methoxy-2,6-dimethylocta-1,6-diene
CID 87447778
(E)-3-iodo-1-methoxynon-2-ene
CID 10493117
(3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene
CID 20643241
lithium hept-2-en-2-olate
CID 134859584
1,4-dimethoxy-2-methylsulfonylbut-2-ene
CID 54174822
(2Z,5Z)-1-methoxy-6-methylocta-2,5-diene
CID 142244448

Frequently Asked Questions

What is the IUPAC name of 4-methoxybut-2-en-2-olate?
The IUPAC name of 4-methoxybut-2-en-2-olate (CID 58028382) is 4-methoxybut-2-en-2-olate.
What is the SMILES notation for 4-methoxybut-2-en-2-olate?
The canonical SMILES for 4-methoxybut-2-en-2-olate is COCC=C(C)[O-].
What is the InChIKey of 4-methoxybut-2-en-2-olate?
The InChIKey is RIFJGWRVQROVQW-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10O2/c1-5(6)3-4-7-2/h3,6H,4H2,1-2H3/p-1.
What are the key properties of 4-methoxybut-2-en-2-olate?
4-methoxybut-2-en-2-olate has a molecular weight of 101.12 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybut-2-en-2-olate is sourced from PubChem (CID 58028382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).