(5Z)-2,2-dimethyl-4-methylidene-5-[(Z)-1-prop-1-en-2-yloxypent-2-en-4-ynylidene]oxolan-3-one

C15H16O3 — CID 143026298

IUPAC(5Z)-2,2-dimethyl-4-methylidene-5-[(Z)-1-prop-1-en-2-yloxypent-2-en-4-ynylidene]oxolan-3-one
SMILESC#C/C=C\C(OC(=C)C)=C1\OC(C)(C)C(=O)C1=C
InChIInChI=1S/C15H16O3/c1-7-8-9-12(17-10(2)3)13-11(4)14(16)15(5,6)18-13/h1,8-9H,2,4H2,3,5-6H3/b9-8-,13-12-
InChIKeyGBEIVIISLWTBPB-OZKAYXIQSA-N
MW244.29 g/mol
LogP2.87
Rot. Bonds3

About (5Z)-2,2-dimethyl-4-methylidene-5-[(Z)-1-prop-1-en-2-yloxypent-2-en-4-ynylidene]oxolan-3-one

(5Z)-2,2-dimethyl-4-methylidene-5-[(Z)-1-prop-1-en-2-yloxypent-2-en-4-ynylidene]oxolan-3-one (PubChem CID 143026298) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (5Z)-2,2-dimethyl-4-methylidene-5-[(Z)-1-prop-1-en-2-yloxypent-2-en-4-ynylidene]oxolan-3-one.

Molecular Properties

Compound Name(5Z)-2,2-dimethyl-4-methylidene-5-[(Z)-1-prop-1-en-2-yloxypent-2-en-4-ynylidene]oxolan-3-one
PubChem CID143026298
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(5Z)-2,2-dimethyl-4-methylidene-5-[(Z)-1-prop-1-en-2-yloxypent-2-en-4-ynylidene]oxolan-3-one
SMILESC#C/C=C\C(OC(=C)C)=C1\OC(C)(C)C(=O)C1=C
InChIInChI=1S/C15H16O3/c1-7-8-9-12(17-10(2)3)13-11(4)14(16)15(5,6)18-13/h1,8-9H,2,4H2,3,5-6H3/b9-8-,13-12-
InChIKeyGBEIVIISLWTBPB-OZKAYXIQSA-N
XLogP2.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.87
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;(4E)-4-[(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dienylidene]-2,2,5,5-tetramethyloxolan-3-one
CID 144669968
(4E)-4-[(3Z)-5-methoxy-2-methylidenehexa-3,5-dienylidene]-2,2,5,5-tetramethyloxolan-3-one
CID 164119017
(4E)-4-[(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dienylidene]-2,2,5,5-tetramethyloxolan-3-one
CID 144669969

Frequently Asked Questions

What is the IUPAC name of (5Z)-2,2-dimethyl-4-methylidene-5-[(Z)-1-prop-1-en-2-yloxypent-2-en-4-ynylidene]oxolan-3-one?
The IUPAC name of (5Z)-2,2-dimethyl-4-methylidene-5-[(Z)-1-prop-1-en-2-yloxypent-2-en-4-ynylidene]oxolan-3-one (CID 143026298) is (5Z)-2,2-dimethyl-4-methylidene-5-[(Z)-1-prop-1-en-2-yloxypent-2-en-4-ynylidene]oxolan-3-one.
What is the SMILES notation for (5Z)-2,2-dimethyl-4-methylidene-5-[(Z)-1-prop-1-en-2-yloxypent-2-en-4-ynylidene]oxolan-3-one?
The canonical SMILES for (5Z)-2,2-dimethyl-4-methylidene-5-[(Z)-1-prop-1-en-2-yloxypent-2-en-4-ynylidene]oxolan-3-one is C#C/C=C\C(OC(=C)C)=C1\OC(C)(C)C(=O)C1=C.
What is the InChIKey of (5Z)-2,2-dimethyl-4-methylidene-5-[(Z)-1-prop-1-en-2-yloxypent-2-en-4-ynylidene]oxolan-3-one?
The InChIKey is GBEIVIISLWTBPB-OZKAYXIQSA-N. The full InChI is InChI=1S/C15H16O3/c1-7-8-9-12(17-10(2)3)13-11(4)14(16)15(5,6)18-13/h1,8-9H,2,4H2,3,5-6H3/b9-8-,13-12-.
What are the key properties of (5Z)-2,2-dimethyl-4-methylidene-5-[(Z)-1-prop-1-en-2-yloxypent-2-en-4-ynylidene]oxolan-3-one?
(5Z)-2,2-dimethyl-4-methylidene-5-[(Z)-1-prop-1-en-2-yloxypent-2-en-4-ynylidene]oxolan-3-one has a molecular weight of 244.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2,2-dimethyl-4-methylidene-5-[(Z)-1-prop-1-en-2-yloxypent-2-en-4-ynylidene]oxolan-3-one is sourced from PubChem (CID 143026298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).