2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane

C12H15Cl3O2 — CID 143933612

IUPAC2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane
SMILESCC.ClCC1(c2ccc(Cl)cc2Cl)OCCO1
InChIInChI=1S/C10H9Cl3O2.C2H6/c11-6-10(14-3-4-15-10)8-2-1-7(12)5-9(8)13;1-2/h1-2,5H,3-4,6H2;1-2H3
InChIKeyYMBJHHOGKRTCJV-UHFFFAOYSA-N
MW297.61 g/mol
LogP4.46
Rot. Bonds2

About 2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane

2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane (PubChem CID 143933612) has the molecular formula C12H15Cl3O2 and a molecular weight of 297.61 g/mol. Its IUPAC name is 2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane.

Molecular Properties

Compound Name2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane
PubChem CID143933612
Molecular FormulaC12H15Cl3O2
Molecular Weight297.61 g/mol
Exact Mass296.01
IUPAC Name2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane
SMILESCC.ClCC1(c2ccc(Cl)cc2Cl)OCCO1
InChIInChI=1S/C10H9Cl3O2.C2H6/c11-6-10(14-3-4-15-10)8-2-1-7(12)5-9(8)13;1-2/h1-2,5H,3-4,6H2;1-2H3
InChIKeyYMBJHHOGKRTCJV-UHFFFAOYSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.61
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane?
The IUPAC name of 2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane (CID 143933612) is 2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane.
What is the SMILES notation for 2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane?
The canonical SMILES for 2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane is CC.ClCC1(c2ccc(Cl)cc2Cl)OCCO1.
What is the InChIKey of 2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane?
The InChIKey is YMBJHHOGKRTCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3O2.C2H6/c11-6-10(14-3-4-15-10)8-2-1-7(12)5-9(8)13;1-2/h1-2,5H,3-4,6H2;1-2H3.
What are the key properties of 2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane?
2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane has a molecular weight of 297.61 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane;ethane is sourced from PubChem (CID 143933612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).