methyl (2E)-2-(oxolan-2-ylidene)acetate

C7H10O3 — CID 12999931

IUPACmethyl (2E)-2-(oxolan-2-ylidene)acetate
SMILESCOC(=O)/C=C1\CCCO1
InChIInChI=1S/C7H10O3/c1-9-7(8)5-6-3-2-4-10-6/h5H,2-4H2,1H3/b6-5+
InChIKeyIDQLRMOCCRRXCS-AATRIKPKSA-N
MW142.15 g/mol
LogP0.85
Rot. Bonds1

About methyl (2E)-2-(oxolan-2-ylidene)acetate

methyl (2E)-2-(oxolan-2-ylidene)acetate (PubChem CID 12999931) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is methyl (2E)-2-(oxolan-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-(oxolan-2-ylidene)acetate
PubChem CID12999931
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namemethyl (2E)-2-(oxolan-2-ylidene)acetate
SMILESCOC(=O)/C=C1\CCCO1
InChIInChI=1S/C7H10O3/c1-9-7(8)5-6-3-2-4-10-6/h5H,2-4H2,1H3/b6-5+
InChIKeyIDQLRMOCCRRXCS-AATRIKPKSA-N
XLogP0.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2E)-2-(oxolan-2-ylidene)acetate?
The IUPAC name of methyl (2E)-2-(oxolan-2-ylidene)acetate (CID 12999931) is methyl (2E)-2-(oxolan-2-ylidene)acetate.
What is the SMILES notation for methyl (2E)-2-(oxolan-2-ylidene)acetate?
The canonical SMILES for methyl (2E)-2-(oxolan-2-ylidene)acetate is COC(=O)/C=C1\CCCO1.
What is the InChIKey of methyl (2E)-2-(oxolan-2-ylidene)acetate?
The InChIKey is IDQLRMOCCRRXCS-AATRIKPKSA-N. The full InChI is InChI=1S/C7H10O3/c1-9-7(8)5-6-3-2-4-10-6/h5H,2-4H2,1H3/b6-5+.
What are the key properties of methyl (2E)-2-(oxolan-2-ylidene)acetate?
methyl (2E)-2-(oxolan-2-ylidene)acetate has a molecular weight of 142.15 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(oxolan-2-ylidene)acetate is sourced from PubChem (CID 12999931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).