4-(2,6-dichlorophenyl)-2,2,5-trimethyl-1,3-dioxolane

C12H14Cl2O2 — CID 144861861

IUPAC4-(2,6-dichlorophenyl)-2,2,5-trimethyl-1,3-dioxolane
SMILESCC1OC(C)(C)OC1c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2O2/c1-7-11(16-12(2,3)15-7)10-8(13)5-4-6-9(10)14/h4-7,11H,1-3H3
InChIKeyRBQSNXVHIICOLU-UHFFFAOYSA-N
MW261.15 g/mol
LogP4.21
Rot. Bonds1

About 4-(2,6-dichlorophenyl)-2,2,5-trimethyl-1,3-dioxolane

4-(2,6-dichlorophenyl)-2,2,5-trimethyl-1,3-dioxolane (PubChem CID 144861861) has the molecular formula C12H14Cl2O2 and a molecular weight of 261.15 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-2,2,5-trimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-2,2,5-trimethyl-1,3-dioxolane
PubChem CID144861861
Molecular FormulaC12H14Cl2O2
Molecular Weight261.15 g/mol
Exact Mass260.04
IUPAC Name4-(2,6-dichlorophenyl)-2,2,5-trimethyl-1,3-dioxolane
SMILESCC1OC(C)(C)OC1c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2O2/c1-7-11(16-12(2,3)15-7)10-8(13)5-4-6-9(10)14/h4-7,11H,1-3H3
InChIKeyRBQSNXVHIICOLU-UHFFFAOYSA-N
XLogP4.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-2,2,5-trimethyl-1,3-dioxolane?
The IUPAC name of 4-(2,6-dichlorophenyl)-2,2,5-trimethyl-1,3-dioxolane (CID 144861861) is 4-(2,6-dichlorophenyl)-2,2,5-trimethyl-1,3-dioxolane.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-2,2,5-trimethyl-1,3-dioxolane?
The canonical SMILES for 4-(2,6-dichlorophenyl)-2,2,5-trimethyl-1,3-dioxolane is CC1OC(C)(C)OC1c1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichlorophenyl)-2,2,5-trimethyl-1,3-dioxolane?
The InChIKey is RBQSNXVHIICOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O2/c1-7-11(16-12(2,3)15-7)10-8(13)5-4-6-9(10)14/h4-7,11H,1-3H3.
What are the key properties of 4-(2,6-dichlorophenyl)-2,2,5-trimethyl-1,3-dioxolane?
4-(2,6-dichlorophenyl)-2,2,5-trimethyl-1,3-dioxolane has a molecular weight of 261.15 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-2,2,5-trimethyl-1,3-dioxolane is sourced from PubChem (CID 144861861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).