(3E)-3-[(4R,5S)-4,5-dimethyloxolan-2-ylidene]oxolan-2-one

C10H14O3 — CID 11412743

IUPAC(3E)-3-[(4R,5S)-4,5-dimethyloxolan-2-ylidene]oxolan-2-one
SMILESC[C@@H]1C/C(=C2/CCOC2=O)O[C@H]1C
InChIInChI=1S/C10H14O3/c1-6-5-9(13-7(6)2)8-3-4-12-10(8)11/h6-7H,3-5H2,1-2H3/b9-8+/t6-,7+/m1/s1
InChIKeyFHZHSLBOKWUYJL-URPQZBFOSA-N
MW182.22 g/mol
LogP1.63
Rot. Bonds

About (3E)-3-[(4R,5S)-4,5-dimethyloxolan-2-ylidene]oxolan-2-one

(3E)-3-[(4R,5S)-4,5-dimethyloxolan-2-ylidene]oxolan-2-one (PubChem CID 11412743) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (3E)-3-[(4R,5S)-4,5-dimethyloxolan-2-ylidene]oxolan-2-one.

Molecular Properties

Compound Name(3E)-3-[(4R,5S)-4,5-dimethyloxolan-2-ylidene]oxolan-2-one
PubChem CID11412743
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(3E)-3-[(4R,5S)-4,5-dimethyloxolan-2-ylidene]oxolan-2-one
SMILESC[C@@H]1C/C(=C2/CCOC2=O)O[C@H]1C
InChIInChI=1S/C10H14O3/c1-6-5-9(13-7(6)2)8-3-4-12-10(8)11/h6-7H,3-5H2,1-2H3/b9-8+/t6-,7+/m1/s1
InChIKeyFHZHSLBOKWUYJL-URPQZBFOSA-N
XLogP1.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E)-3-[(4R,5S)-4,5-dimethyloxolan-2-ylidene]oxolan-2-one with MolForge

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Related Compounds

4-Methyl-3-(4-methyloxolan-2-ylidene)oxolan-2-one
CID 281859
(3Z)-4-methyl-3-(4-methyltetrahydrofuran-2-ylidene)tetrahydrofuran-2-one
CID 5382217
2(3H)-Furanone, 3-(dihydro-2(3H)-furanylidene)dihydro-
CID 5369034
(3Z)-3-(oxolan-2-ylidene)oxolan-2-one
CID 5383499
3-(Oxolan-2-ylidene)oxolan-2-one
CID 298789
methyl (3aS,6aS)-2-methyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 134981106
methyl 2,3,3,5-tetramethyl-2H-furan-4-carboxylate
CID 135045330
[(1Z)-1-[2-oxo-4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate
CID 138982628
5-Methyl-3-propan-2-ylideneoxolan-2-one
CID 10898796
(3E)-5-ethyl-3-(oxolan-2-ylidene)oxolan-2-one
CID 11008560
(3E)-3-(1-methoxypropylidene)-5-methyloxolan-2-one
CID 14791702
(3Z)-3-[(5R)-5-ethenyloxolan-2-ylidene]oxolan-2-one
CID 177467595

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4R,5S)-4,5-dimethyloxolan-2-ylidene]oxolan-2-one?
The IUPAC name of (3E)-3-[(4R,5S)-4,5-dimethyloxolan-2-ylidene]oxolan-2-one (CID 11412743) is (3E)-3-[(4R,5S)-4,5-dimethyloxolan-2-ylidene]oxolan-2-one.
What is the SMILES notation for (3E)-3-[(4R,5S)-4,5-dimethyloxolan-2-ylidene]oxolan-2-one?
The canonical SMILES for (3E)-3-[(4R,5S)-4,5-dimethyloxolan-2-ylidene]oxolan-2-one is C[C@@H]1C/C(=C2/CCOC2=O)O[C@H]1C.
What is the InChIKey of (3E)-3-[(4R,5S)-4,5-dimethyloxolan-2-ylidene]oxolan-2-one?
The InChIKey is FHZHSLBOKWUYJL-URPQZBFOSA-N. The full InChI is InChI=1S/C10H14O3/c1-6-5-9(13-7(6)2)8-3-4-12-10(8)11/h6-7H,3-5H2,1-2H3/b9-8+/t6-,7+/m1/s1.
What are the key properties of (3E)-3-[(4R,5S)-4,5-dimethyloxolan-2-ylidene]oxolan-2-one?
(3E)-3-[(4R,5S)-4,5-dimethyloxolan-2-ylidene]oxolan-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4R,5S)-4,5-dimethyloxolan-2-ylidene]oxolan-2-one is sourced from PubChem (CID 11412743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).