methyl (2Z)-2-[(4E)-4-(2-methoxy-2-oxoethylidene)oxolan-3-ylidene]acetate

C10H12O5 — CID 177429398

IUPACmethyl (2Z)-2-[(4E)-4-(2-methoxy-2-oxoethylidene)oxolan-3-ylidene]acetate
SMILESCOC(=O)/C=C1\COC\C1=C\C(=O)OC
InChIInChI=1S/C10H12O5/c1-13-9(11)3-7-5-15-6-8(7)4-10(12)14-2/h3-4H,5-6H2,1-2H3/b7-3-,8-4+
InChIKeyYAPOCSNEGDJNQE-KYPMKJFLSA-N
MW212.20 g/mol
LogP0.22
Rot. Bonds2

About methyl (2Z)-2-[(4E)-4-(2-methoxy-2-oxoethylidene)oxolan-3-ylidene]acetate

methyl (2Z)-2-[(4E)-4-(2-methoxy-2-oxoethylidene)oxolan-3-ylidene]acetate (PubChem CID 177429398) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl (2Z)-2-[(4E)-4-(2-methoxy-2-oxoethylidene)oxolan-3-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[(4E)-4-(2-methoxy-2-oxoethylidene)oxolan-3-ylidene]acetate
PubChem CID177429398
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Namemethyl (2Z)-2-[(4E)-4-(2-methoxy-2-oxoethylidene)oxolan-3-ylidene]acetate
SMILESCOC(=O)/C=C1\COC\C1=C\C(=O)OC
InChIInChI=1S/C10H12O5/c1-13-9(11)3-7-5-15-6-8(7)4-10(12)14-2/h3-4H,5-6H2,1-2H3/b7-3-,8-4+
InChIKeyYAPOCSNEGDJNQE-KYPMKJFLSA-N
XLogP0.22
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[(4E)-4-(2-methoxy-2-oxoethylidene)oxolan-3-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-[(4E)-4-(2-methoxy-2-oxoethylidene)oxolan-3-ylidene]acetate (CID 177429398) is methyl (2Z)-2-[(4E)-4-(2-methoxy-2-oxoethylidene)oxolan-3-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[(4E)-4-(2-methoxy-2-oxoethylidene)oxolan-3-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[(4E)-4-(2-methoxy-2-oxoethylidene)oxolan-3-ylidene]acetate is COC(=O)/C=C1\COC\C1=C\C(=O)OC.
What is the InChIKey of methyl (2Z)-2-[(4E)-4-(2-methoxy-2-oxoethylidene)oxolan-3-ylidene]acetate?
The InChIKey is YAPOCSNEGDJNQE-KYPMKJFLSA-N. The full InChI is InChI=1S/C10H12O5/c1-13-9(11)3-7-5-15-6-8(7)4-10(12)14-2/h3-4H,5-6H2,1-2H3/b7-3-,8-4+.
What are the key properties of methyl (2Z)-2-[(4E)-4-(2-methoxy-2-oxoethylidene)oxolan-3-ylidene]acetate?
methyl (2Z)-2-[(4E)-4-(2-methoxy-2-oxoethylidene)oxolan-3-ylidene]acetate has a molecular weight of 212.20 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[(4E)-4-(2-methoxy-2-oxoethylidene)oxolan-3-ylidene]acetate is sourced from PubChem (CID 177429398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).