(4E)-4-ethylidene-2,2,5,5-tetramethyloxolan-3-one

C10H16O2 — CID 129015161

IUPAC(4E)-4-ethylidene-2,2,5,5-tetramethyloxolan-3-one
SMILESC/C=C1/C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C10H16O2/c1-6-7-8(11)10(4,5)12-9(7,2)3/h6H,1-5H3/b7-6-
InChIKeyNJMKWKGJEVVCGX-SREVYHEPSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds

About (4E)-4-ethylidene-2,2,5,5-tetramethyloxolan-3-one

(4E)-4-ethylidene-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 129015161) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (4E)-4-ethylidene-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name(4E)-4-ethylidene-2,2,5,5-tetramethyloxolan-3-one
PubChem CID129015161
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(4E)-4-ethylidene-2,2,5,5-tetramethyloxolan-3-one
SMILESC/C=C1/C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C10H16O2/c1-6-7-8(11)10(4,5)12-9(7,2)3/h6H,1-5H3/b7-6-
InChIKeyNJMKWKGJEVVCGX-SREVYHEPSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethylidene-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of (4E)-4-ethylidene-2,2,5,5-tetramethyloxolan-3-one (CID 129015161) is (4E)-4-ethylidene-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for (4E)-4-ethylidene-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for (4E)-4-ethylidene-2,2,5,5-tetramethyloxolan-3-one is C/C=C1/C(=O)C(C)(C)OC1(C)C.
What is the InChIKey of (4E)-4-ethylidene-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is NJMKWKGJEVVCGX-SREVYHEPSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-7-8(11)10(4,5)12-9(7,2)3/h6H,1-5H3/b7-6-.
What are the key properties of (4E)-4-ethylidene-2,2,5,5-tetramethyloxolan-3-one?
(4E)-4-ethylidene-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 168.24 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 129015161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).