(3aR,5R,6Z,6aR)-5-ethenyl-6-[2-[(2Z,4E)-hexa-2,4-dienoxy]ethylidene]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole

C17H24O4 — CID 53475476

IUPAC(3aR,5R,6Z,6aR)-5-ethenyl-6-[2-[(2Z,4E)-hexa-2,4-dienoxy]ethylidene]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
SMILESC=C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2/C1=C\COC/C=C\C=C\C
InChIInChI=1S/C17H24O4/c1-5-7-8-9-11-18-12-10-13-14(6-2)19-16-15(13)20-17(3,4)21-16/h5-10,14-16H,2,11-12H2,1,3-4H3/b7-5+,9-8-,13-10-/t14-,15-,16-/m1/s1
InChIKeyXHOLRTRTNUKCCM-WKVCZGHCSA-N
MW292.38 g/mol
LogP3.12
Rot. Bonds6

About (3aR,5R,6Z,6aR)-5-ethenyl-6-[2-[(2Z,4E)-hexa-2,4-dienoxy]ethylidene]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole

(3aR,5R,6Z,6aR)-5-ethenyl-6-[2-[(2Z,4E)-hexa-2,4-dienoxy]ethylidene]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole (PubChem CID 53475476) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3aR,5R,6Z,6aR)-5-ethenyl-6-[2-[(2Z,4E)-hexa-2,4-dienoxy]ethylidene]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,5R,6Z,6aR)-5-ethenyl-6-[2-[(2Z,4E)-hexa-2,4-dienoxy]ethylidene]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
PubChem CID53475476
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(3aR,5R,6Z,6aR)-5-ethenyl-6-[2-[(2Z,4E)-hexa-2,4-dienoxy]ethylidene]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
SMILESC=C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2/C1=C\COC/C=C\C=C\C
InChIInChI=1S/C17H24O4/c1-5-7-8-9-11-18-12-10-13-14(6-2)19-16-15(13)20-17(3,4)21-16/h5-10,14-16H,2,11-12H2,1,3-4H3/b7-5+,9-8-,13-10-/t14-,15-,16-/m1/s1
InChIKeyXHOLRTRTNUKCCM-WKVCZGHCSA-N
XLogP3.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6Z,6aR)-5-ethenyl-6-[2-[(2Z,4E)-hexa-2,4-dienoxy]ethylidene]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (3aR,5R,6Z,6aR)-5-ethenyl-6-[2-[(2Z,4E)-hexa-2,4-dienoxy]ethylidene]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole (CID 53475476) is (3aR,5R,6Z,6aR)-5-ethenyl-6-[2-[(2Z,4E)-hexa-2,4-dienoxy]ethylidene]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aR,5R,6Z,6aR)-5-ethenyl-6-[2-[(2Z,4E)-hexa-2,4-dienoxy]ethylidene]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (3aR,5R,6Z,6aR)-5-ethenyl-6-[2-[(2Z,4E)-hexa-2,4-dienoxy]ethylidene]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole is C=C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2/C1=C\COC/C=C\C=C\C.
What is the InChIKey of (3aR,5R,6Z,6aR)-5-ethenyl-6-[2-[(2Z,4E)-hexa-2,4-dienoxy]ethylidene]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The InChIKey is XHOLRTRTNUKCCM-WKVCZGHCSA-N. The full InChI is InChI=1S/C17H24O4/c1-5-7-8-9-11-18-12-10-13-14(6-2)19-16-15(13)20-17(3,4)21-16/h5-10,14-16H,2,11-12H2,1,3-4H3/b7-5+,9-8-,13-10-/t14-,15-,16-/m1/s1.
What are the key properties of (3aR,5R,6Z,6aR)-5-ethenyl-6-[2-[(2Z,4E)-hexa-2,4-dienoxy]ethylidene]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
(3aR,5R,6Z,6aR)-5-ethenyl-6-[2-[(2Z,4E)-hexa-2,4-dienoxy]ethylidene]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole has a molecular weight of 292.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6Z,6aR)-5-ethenyl-6-[2-[(2Z,4E)-hexa-2,4-dienoxy]ethylidene]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 53475476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).