2-[(Z)-2-(3,4-dichlorophenyl)ethenyl]-2-hexyl-1,3-dioxolane

C17H22Cl2O2 — CID 54607558

IUPAC2-[(Z)-2-(3,4-dichlorophenyl)ethenyl]-2-hexyl-1,3-dioxolane
SMILESCCCCCCC1(/C=C\c2ccc(Cl)c(Cl)c2)OCCO1
InChIInChI=1S/C17H22Cl2O2/c1-2-3-4-5-9-17(20-11-12-21-17)10-8-14-6-7-15(18)16(19)13-14/h6-8,10,13H,2-5,9,11-12H2,1H3/b10-8-
InChIKeyFRZRNKRJFAQXCX-NTMALXAHSA-N
MW329.27 g/mol
LogP5.72
Rot. Bonds7

About 2-[(Z)-2-(3,4-dichlorophenyl)ethenyl]-2-hexyl-1,3-dioxolane

2-[(Z)-2-(3,4-dichlorophenyl)ethenyl]-2-hexyl-1,3-dioxolane (PubChem CID 54607558) has the molecular formula C17H22Cl2O2 and a molecular weight of 329.27 g/mol. Its IUPAC name is 2-[(Z)-2-(3,4-dichlorophenyl)ethenyl]-2-hexyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(Z)-2-(3,4-dichlorophenyl)ethenyl]-2-hexyl-1,3-dioxolane
PubChem CID54607558
Molecular FormulaC17H22Cl2O2
Molecular Weight329.27 g/mol
Exact Mass328.10
IUPAC Name2-[(Z)-2-(3,4-dichlorophenyl)ethenyl]-2-hexyl-1,3-dioxolane
SMILESCCCCCCC1(/C=C\c2ccc(Cl)c(Cl)c2)OCCO1
InChIInChI=1S/C17H22Cl2O2/c1-2-3-4-5-9-17(20-11-12-21-17)10-8-14-6-7-15(18)16(19)13-14/h6-8,10,13H,2-5,9,11-12H2,1H3/b10-8-
InChIKeyFRZRNKRJFAQXCX-NTMALXAHSA-N
XLogP5.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.27
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(3,4-dichlorophenyl)ethenyl]-2-hexyl-1,3-dioxolane?
The IUPAC name of 2-[(Z)-2-(3,4-dichlorophenyl)ethenyl]-2-hexyl-1,3-dioxolane (CID 54607558) is 2-[(Z)-2-(3,4-dichlorophenyl)ethenyl]-2-hexyl-1,3-dioxolane.
What is the SMILES notation for 2-[(Z)-2-(3,4-dichlorophenyl)ethenyl]-2-hexyl-1,3-dioxolane?
The canonical SMILES for 2-[(Z)-2-(3,4-dichlorophenyl)ethenyl]-2-hexyl-1,3-dioxolane is CCCCCCC1(/C=C\c2ccc(Cl)c(Cl)c2)OCCO1.
What is the InChIKey of 2-[(Z)-2-(3,4-dichlorophenyl)ethenyl]-2-hexyl-1,3-dioxolane?
The InChIKey is FRZRNKRJFAQXCX-NTMALXAHSA-N. The full InChI is InChI=1S/C17H22Cl2O2/c1-2-3-4-5-9-17(20-11-12-21-17)10-8-14-6-7-15(18)16(19)13-14/h6-8,10,13H,2-5,9,11-12H2,1H3/b10-8-.
What are the key properties of 2-[(Z)-2-(3,4-dichlorophenyl)ethenyl]-2-hexyl-1,3-dioxolane?
2-[(Z)-2-(3,4-dichlorophenyl)ethenyl]-2-hexyl-1,3-dioxolane has a molecular weight of 329.27 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(3,4-dichlorophenyl)ethenyl]-2-hexyl-1,3-dioxolane is sourced from PubChem (CID 54607558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).