3-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pent-2-en-1-one

C15H26O2 — CID 103458664

IUPAC3-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pent-2-en-1-one
SMILESCCC(=CC(=O)C1CC(C)(C)OC1(C)C)CC
InChIInChI=1S/C15H26O2/c1-7-11(8-2)9-13(16)12-10-14(3,4)17-15(12,5)6/h9,12H,7-8,10H2,1-6H3
InChIKeyFZXNGFBAMGRNFV-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.90
Rot. Bonds4

About 3-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pent-2-en-1-one

3-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pent-2-en-1-one (PubChem CID 103458664) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pent-2-en-1-one.

Molecular Properties

Compound Name3-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pent-2-en-1-one
PubChem CID103458664
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name3-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pent-2-en-1-one
SMILESCCC(=CC(=O)C1CC(C)(C)OC1(C)C)CC
InChIInChI=1S/C15H26O2/c1-7-11(8-2)9-13(16)12-10-14(3,4)17-15(12,5)6/h9,12H,7-8,10H2,1-6H3
InChIKeyFZXNGFBAMGRNFV-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.90
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

(3aR,6aS)-3,3-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-6-one
CID 134854582
Tert-butyl 4-methyl-2-oxocyclopent-3-ene-1-carboxylate
CID 135085673
1-(4-But-2-enoyloxolan-3-yl)but-2-en-1-one
CID 141530626
Tert-butyl 2,2,4-trimethyl-5-oxocyclopent-3-ene-1-carboxylate
CID 162705368
Tert-butyl 3-methyl-2-oxocyclopent-3-ene-1-carboxylate
CID 24773142
3-Methyl-1-(oxolan-3-yl)but-2-en-1-one
CID 79190487
(3aR,6aR)-3,3,6-trimethyl-3a,6a-dihydrocyclopenta[c]furan-1,4-dione
CID 102321136
2-Ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)but-2-en-1-one
CID 103447272
2-Ethyl-1-(oxolan-3-yl)but-2-en-1-one
CID 103447343
Cyclopenten-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 103447978
Cyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 103449867
(E)-1-(2,2,5,5-tetramethyloxolan-3-yl)but-2-en-1-one
CID 103453255

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pent-2-en-1-one?
The IUPAC name of 3-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pent-2-en-1-one (CID 103458664) is 3-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pent-2-en-1-one.
What is the SMILES notation for 3-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pent-2-en-1-one?
The canonical SMILES for 3-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pent-2-en-1-one is CCC(=CC(=O)C1CC(C)(C)OC1(C)C)CC.
What is the InChIKey of 3-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pent-2-en-1-one?
The InChIKey is FZXNGFBAMGRNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-7-11(8-2)9-13(16)12-10-14(3,4)17-15(12,5)6/h9,12H,7-8,10H2,1-6H3.
What are the key properties of 3-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pent-2-en-1-one?
3-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pent-2-en-1-one has a molecular weight of 238.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pent-2-en-1-one is sourced from PubChem (CID 103458664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).