(3E)-3-ethylidene-4-methyloxolan-2-one

C7H10O2 — CID 143297443

IUPAC(3E)-3-ethylidene-4-methyloxolan-2-one
SMILESC/C=C1/C(=O)OCC1C
InChIInChI=1S/C7H10O2/c1-3-6-5(2)4-9-7(6)8/h3,5H,4H2,1-2H3/b6-3+
InChIKeySUYXLZWBEAQWOV-ZZXKWVIFSA-N
MW126.15 g/mol
LogP1.13
Rot. Bonds

About (3E)-3-ethylidene-4-methyloxolan-2-one

(3E)-3-ethylidene-4-methyloxolan-2-one (PubChem CID 143297443) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (3E)-3-ethylidene-4-methyloxolan-2-one.

Molecular Properties

Compound Name(3E)-3-ethylidene-4-methyloxolan-2-one
PubChem CID143297443
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(3E)-3-ethylidene-4-methyloxolan-2-one
SMILESC/C=C1/C(=O)OCC1C
InChIInChI=1S/C7H10O2/c1-3-6-5(2)4-9-7(6)8/h3,5H,4H2,1-2H3/b6-3+
InChIKeySUYXLZWBEAQWOV-ZZXKWVIFSA-N
XLogP1.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2(3H)-Furanone, dihydro-4-methyl-3-methylene-, (R)-
CID 11815838
(4S)-4-methyl-3-methylideneoxolan-2-one
CID 13291800
4-(Propan-2-yl)-2,5-dihydrofuran-2-one
CID 12588986
(3E)-3-ethylidenedihydrofuran-2(3H)-one
CID 642784
Methyl 3,6-dihydro-2H-pyran-4-carboxylate
CID 37819200
Methyl 2-(oxolan-3-ylidene)acetate
CID 91943006
Vibralactone R
CID 132566489
(3E,4R)-3-hexylidene-4-methyloxolane-2,5-dione
CID 155524477
3-(4-Methylpent-3-enylidene)oxolan-2-one
CID 85762279
(3E)-3-(4-methylpent-3-enylidene)oxolan-2-one
CID 101410410
Vibralactone M
CID 139584560
Methyl 6-oxo-3, 6-dihydro-2H-pyran-4-carboxylate
CID 156581849

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylidene-4-methyloxolan-2-one?
The IUPAC name of (3E)-3-ethylidene-4-methyloxolan-2-one (CID 143297443) is (3E)-3-ethylidene-4-methyloxolan-2-one.
What is the SMILES notation for (3E)-3-ethylidene-4-methyloxolan-2-one?
The canonical SMILES for (3E)-3-ethylidene-4-methyloxolan-2-one is C/C=C1/C(=O)OCC1C.
What is the InChIKey of (3E)-3-ethylidene-4-methyloxolan-2-one?
The InChIKey is SUYXLZWBEAQWOV-ZZXKWVIFSA-N. The full InChI is InChI=1S/C7H10O2/c1-3-6-5(2)4-9-7(6)8/h3,5H,4H2,1-2H3/b6-3+.
What are the key properties of (3E)-3-ethylidene-4-methyloxolan-2-one?
(3E)-3-ethylidene-4-methyloxolan-2-one has a molecular weight of 126.15 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidene-4-methyloxolan-2-one is sourced from PubChem (CID 143297443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).