ethyl 2-formyloxy-3-methoxy-2-methylbut-3-enoate

C9H14O5 — CID 10821966

IUPACethyl 2-formyloxy-3-methoxy-2-methylbut-3-enoate
SMILESC=C(OC)C(C)(OC=O)C(=O)OCC
InChIInChI=1S/C9H14O5/c1-5-13-8(11)9(3,14-6-10)7(2)12-4/h6H,2,5H2,1,3-4H3
InChIKeyXPDWPVDVGCHHRR-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.64
Rot. Bonds6

About ethyl 2-formyloxy-3-methoxy-2-methylbut-3-enoate

ethyl 2-formyloxy-3-methoxy-2-methylbut-3-enoate (PubChem CID 10821966) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is ethyl 2-formyloxy-3-methoxy-2-methylbut-3-enoate.

Molecular Properties

Compound Nameethyl 2-formyloxy-3-methoxy-2-methylbut-3-enoate
PubChem CID10821966
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Nameethyl 2-formyloxy-3-methoxy-2-methylbut-3-enoate
SMILESC=C(OC)C(C)(OC=O)C(=O)OCC
InChIInChI=1S/C9H14O5/c1-5-13-8(11)9(3,14-6-10)7(2)12-4/h6H,2,5H2,1,3-4H3
InChIKeyXPDWPVDVGCHHRR-UHFFFAOYSA-N
XLogP0.64
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-formyloxy-3-methoxy-2-methylbut-3-enoate?
The IUPAC name of ethyl 2-formyloxy-3-methoxy-2-methylbut-3-enoate (CID 10821966) is ethyl 2-formyloxy-3-methoxy-2-methylbut-3-enoate.
What is the SMILES notation for ethyl 2-formyloxy-3-methoxy-2-methylbut-3-enoate?
The canonical SMILES for ethyl 2-formyloxy-3-methoxy-2-methylbut-3-enoate is C=C(OC)C(C)(OC=O)C(=O)OCC.
What is the InChIKey of ethyl 2-formyloxy-3-methoxy-2-methylbut-3-enoate?
The InChIKey is XPDWPVDVGCHHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c1-5-13-8(11)9(3,14-6-10)7(2)12-4/h6H,2,5H2,1,3-4H3.
What are the key properties of ethyl 2-formyloxy-3-methoxy-2-methylbut-3-enoate?
ethyl 2-formyloxy-3-methoxy-2-methylbut-3-enoate has a molecular weight of 202.21 g/mol, XLogP of 0.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formyloxy-3-methoxy-2-methylbut-3-enoate is sourced from PubChem (CID 10821966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).