(4E)-4-[(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dienylidene]-2,2,5,5-tetramethyloxolan-3-one

C17H26O3 — CID 144669969

IUPAC(4E)-4-[(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dienylidene]-2,2,5,5-tetramethyloxolan-3-one
SMILESCCC(=C\C=C(/C)OC)/C=C1/C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C17H26O3/c1-8-13(10-9-12(2)19-7)11-14-15(18)17(5,6)20-16(14,3)4/h9-11H,8H2,1-7H3/b12-9+,13-10+,14-11-
InChIKeyWONISIJIZIVWJI-IQLHPBHHSA-N
MW278.39 g/mol
LogP3.96
Rot. Bonds4

About (4E)-4-[(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dienylidene]-2,2,5,5-tetramethyloxolan-3-one

(4E)-4-[(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dienylidene]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 144669969) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (4E)-4-[(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dienylidene]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name(4E)-4-[(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dienylidene]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID144669969
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(4E)-4-[(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dienylidene]-2,2,5,5-tetramethyloxolan-3-one
SMILESCCC(=C\C=C(/C)OC)/C=C1/C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C17H26O3/c1-8-13(10-9-12(2)19-7)11-14-15(18)17(5,6)20-16(14,3)4/h9-11H,8H2,1-7H3/b12-9+,13-10+,14-11-
InChIKeyWONISIJIZIVWJI-IQLHPBHHSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (2Z)-2-[(4Z)-4-[(5R)-5-butyl-5-methylfuran-2-ylidene]-3,5-dioxooxolan-2-ylidene]acetate
CID 162923677
(4E)-4-ethylidene-2,2,5,5-tetramethyloxolan-3-one
CID 129015161
2-[(3-ethylcyclohex-2-en-1-yl)methylidene]-7a-methyl-3aH-1-benzofuran-3-one
CID 141790009
(4E)-4-[(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)methylidene]-2,2,5,5-tetramethyloxolan-3-one
CID 142147874
ethane;(4E)-4-[(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dienylidene]-2,2,5,5-tetramethyloxolan-3-one
CID 144669968
(2Z)-2-[(5-methylcyclohexa-1,5-dien-1-yl)methylidene]-5,6-dihydro-1-benzofuran-3-one
CID 145384813
(4E)-4-[(3Z)-5-methoxy-2-methylidenehexa-3,5-dienylidene]-2,2,5,5-tetramethyloxolan-3-one
CID 164119017
4-methoxy-4-methyl-3-propan-2-yloxy-2-[(E)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one
CID 10613614
4-methoxy-4-methyl-3-propan-2-yloxy-2-[(Z)-2-prop-1-en-2-ylhex-1-enyl]cyclobut-2-en-1-one
CID 10803599
methyl (2Z)-2-[(4Z)-4-(5-butyl-5-methylfuran-2-ylidene)-3,5-dioxooxolan-2-ylidene]acetate
CID 14524778
(5Z)-2,2-dimethyl-4-methylidene-5-[(Z)-1-prop-1-en-2-yloxypent-2-en-4-ynylidene]oxolan-3-one
CID 143026298
Methyl 2-[4-(5-butyl-5-methylfuran-2-ylidene)-3,5-dioxooxolan-2-ylidene]acetate
CID 162923676

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dienylidene]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of (4E)-4-[(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dienylidene]-2,2,5,5-tetramethyloxolan-3-one (CID 144669969) is (4E)-4-[(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dienylidene]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for (4E)-4-[(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dienylidene]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for (4E)-4-[(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dienylidene]-2,2,5,5-tetramethyloxolan-3-one is CCC(=C\C=C(/C)OC)/C=C1/C(=O)C(C)(C)OC1(C)C.
What is the InChIKey of (4E)-4-[(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dienylidene]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is WONISIJIZIVWJI-IQLHPBHHSA-N. The full InChI is InChI=1S/C17H26O3/c1-8-13(10-9-12(2)19-7)11-14-15(18)17(5,6)20-16(14,3)4/h9-11H,8H2,1-7H3/b12-9+,13-10+,14-11-.
What are the key properties of (4E)-4-[(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dienylidene]-2,2,5,5-tetramethyloxolan-3-one?
(4E)-4-[(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dienylidene]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 278.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dienylidene]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 144669969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).