4-ethylidene-3-methyloxetan-2-one;methane

C7H12O2 — CID 162190028

IUPAC4-ethylidene-3-methyloxetan-2-one;methane
SMILESC.CC=C1OC(=O)C1C
InChIInChI=1S/C6H8O2.CH4/c1-3-5-4(2)6(7)8-5;/h3-4H,1-2H3;1H4
InChIKeyZQEDQTIDPRQEGG-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.72
Rot. Bonds

About 4-ethylidene-3-methyloxetan-2-one;methane

4-ethylidene-3-methyloxetan-2-one;methane (PubChem CID 162190028) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-ethylidene-3-methyloxetan-2-one;methane.

Molecular Properties

Compound Name4-ethylidene-3-methyloxetan-2-one;methane
PubChem CID162190028
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name4-ethylidene-3-methyloxetan-2-one;methane
SMILESC.CC=C1OC(=O)C1C
InChIInChI=1S/C6H8O2.CH4/c1-3-5-4(2)6(7)8-5;/h3-4H,1-2H3;1H4
InChIKeyZQEDQTIDPRQEGG-UHFFFAOYSA-N
XLogP1.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-3-methyloxetan-2-one;methane?
The IUPAC name of 4-ethylidene-3-methyloxetan-2-one;methane (CID 162190028) is 4-ethylidene-3-methyloxetan-2-one;methane.
What is the SMILES notation for 4-ethylidene-3-methyloxetan-2-one;methane?
The canonical SMILES for 4-ethylidene-3-methyloxetan-2-one;methane is C.CC=C1OC(=O)C1C.
What is the InChIKey of 4-ethylidene-3-methyloxetan-2-one;methane?
The InChIKey is ZQEDQTIDPRQEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2.CH4/c1-3-5-4(2)6(7)8-5;/h3-4H,1-2H3;1H4.
What are the key properties of 4-ethylidene-3-methyloxetan-2-one;methane?
4-ethylidene-3-methyloxetan-2-one;methane has a molecular weight of 128.17 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-3-methyloxetan-2-one;methane is sourced from PubChem (CID 162190028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).