4-ethenyl-5-[(Z)-2-ethenylpent-1-enyl]-2,2-difluoro-1,3-dioxole

C12H14F2O2 — CID 166806449

IUPAC4-ethenyl-5-[(Z)-2-ethenylpent-1-enyl]-2,2-difluoro-1,3-dioxole
SMILESC=CC1=C(/C=C(\C=C)CCC)OC(F)(F)O1
InChIInChI=1S/C12H14F2O2/c1-4-7-9(5-2)8-11-10(6-3)15-12(13,14)16-11/h5-6,8H,2-4,7H2,1H3/b9-8+
InChIKeyWGBUTMXMOQRWHB-CMDGGOBGSA-N
MW228.24 g/mol
LogP3.89
Rot. Bonds5

About 4-ethenyl-5-[(Z)-2-ethenylpent-1-enyl]-2,2-difluoro-1,3-dioxole

4-ethenyl-5-[(Z)-2-ethenylpent-1-enyl]-2,2-difluoro-1,3-dioxole (PubChem CID 166806449) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 4-ethenyl-5-[(Z)-2-ethenylpent-1-enyl]-2,2-difluoro-1,3-dioxole.

Molecular Properties

Compound Name4-ethenyl-5-[(Z)-2-ethenylpent-1-enyl]-2,2-difluoro-1,3-dioxole
PubChem CID166806449
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name4-ethenyl-5-[(Z)-2-ethenylpent-1-enyl]-2,2-difluoro-1,3-dioxole
SMILESC=CC1=C(/C=C(\C=C)CCC)OC(F)(F)O1
InChIInChI=1S/C12H14F2O2/c1-4-7-9(5-2)8-11-10(6-3)15-12(13,14)16-11/h5-6,8H,2-4,7H2,1H3/b9-8+
InChIKeyWGBUTMXMOQRWHB-CMDGGOBGSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-[(Z)-2-ethenylpent-1-enyl]-2,2-difluoro-1,3-dioxole?
The IUPAC name of 4-ethenyl-5-[(Z)-2-ethenylpent-1-enyl]-2,2-difluoro-1,3-dioxole (CID 166806449) is 4-ethenyl-5-[(Z)-2-ethenylpent-1-enyl]-2,2-difluoro-1,3-dioxole.
What is the SMILES notation for 4-ethenyl-5-[(Z)-2-ethenylpent-1-enyl]-2,2-difluoro-1,3-dioxole?
The canonical SMILES for 4-ethenyl-5-[(Z)-2-ethenylpent-1-enyl]-2,2-difluoro-1,3-dioxole is C=CC1=C(/C=C(\C=C)CCC)OC(F)(F)O1.
What is the InChIKey of 4-ethenyl-5-[(Z)-2-ethenylpent-1-enyl]-2,2-difluoro-1,3-dioxole?
The InChIKey is WGBUTMXMOQRWHB-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-4-7-9(5-2)8-11-10(6-3)15-12(13,14)16-11/h5-6,8H,2-4,7H2,1H3/b9-8+.
What are the key properties of 4-ethenyl-5-[(Z)-2-ethenylpent-1-enyl]-2,2-difluoro-1,3-dioxole?
4-ethenyl-5-[(Z)-2-ethenylpent-1-enyl]-2,2-difluoro-1,3-dioxole has a molecular weight of 228.24 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-[(Z)-2-ethenylpent-1-enyl]-2,2-difluoro-1,3-dioxole is sourced from PubChem (CID 166806449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).