(Z)-1-methoxyprop-1-en-1-olate

C4H7O2- — CID 21343834

IUPAC(Z)-1-methoxyprop-1-en-1-olate
SMILESC/C=C(/[O-])OC
InChIInChI=1S/C4H8O2/c1-3-4(5)6-2/h3,5H,1-2H3/p-1/b4-3-
InChIKeyAMKFWCMOLFAZFO-ARJAWSKDSA-M
MW87.10 g/mol
LogP-0.15
Rot. Bonds1

About (Z)-1-methoxyprop-1-en-1-olate

(Z)-1-methoxyprop-1-en-1-olate (PubChem CID 21343834) has the molecular formula C4H7O2- and a molecular weight of 87.10 g/mol. Its IUPAC name is (Z)-1-methoxyprop-1-en-1-olate.

Molecular Properties

Compound Name(Z)-1-methoxyprop-1-en-1-olate
PubChem CID21343834
Molecular FormulaC4H7O2-
Molecular Weight87.10 g/mol
Exact Mass87.05
IUPAC Name(Z)-1-methoxyprop-1-en-1-olate
SMILESC/C=C(/[O-])OC
InChIInChI=1S/C4H8O2/c1-3-4(5)6-2/h3,5H,1-2H3/p-1/b4-3-
InChIKeyAMKFWCMOLFAZFO-ARJAWSKDSA-M
XLogP-0.15
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.10
LogP ≤ 5-0.15
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

1-Propene, 1,1-dimethoxy-
CID 11768513
lithium (Z)-1-methoxyprop-1-en-1-olate
CID 23667476
CID 59601808
CID 59601808
(E)-1-ethoxyprop-1-en-1-olate
CID 134611716
sodium (E)-1-methoxyprop-1-en-1-olate
CID 134907816
sodium (Z)-1-methoxyprop-1-en-1-olate
CID 134975586
(E)-1-methoxyprop-1-en-1-ol
CID 6096978
(Z)-1-methoxyprop-1-en-1-ol
CID 11815821
1-Methoxyprop-1-en-1-ol
CID 22524651
CID 59037764
CID 59037764
1-Methoxyprop-1-en-1-olate
CID 73782179
(E)-1-ethylperoxy-1-methoxyprop-1-ene
CID 117842418

Frequently Asked Questions

What is the IUPAC name of (Z)-1-methoxyprop-1-en-1-olate?
The IUPAC name of (Z)-1-methoxyprop-1-en-1-olate (CID 21343834) is (Z)-1-methoxyprop-1-en-1-olate.
What is the SMILES notation for (Z)-1-methoxyprop-1-en-1-olate?
The canonical SMILES for (Z)-1-methoxyprop-1-en-1-olate is C/C=C(/[O-])OC.
What is the InChIKey of (Z)-1-methoxyprop-1-en-1-olate?
The InChIKey is AMKFWCMOLFAZFO-ARJAWSKDSA-M. The full InChI is InChI=1S/C4H8O2/c1-3-4(5)6-2/h3,5H,1-2H3/p-1/b4-3-.
What are the key properties of (Z)-1-methoxyprop-1-en-1-olate?
(Z)-1-methoxyprop-1-en-1-olate has a molecular weight of 87.10 g/mol, XLogP of -0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-methoxyprop-1-en-1-olate is sourced from PubChem (CID 21343834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).