2-[5,5-bis(chloromethyl)-1,3-dioxan-2-yl]-5,5-bis(chloromethyl)-1,3-dioxane

C12H18Cl4O4 — CID 71388553

IUPAC2-[5,5-bis(chloromethyl)-1,3-dioxan-2-yl]-5,5-bis(chloromethyl)-1,3-dioxane
SMILESClCC1(CCl)COC(C2OCC(CCl)(CCl)CO2)OC1
InChIInChI=1S/C12H18Cl4O4/c13-1-11(2-14)5-17-9(18-6-11)10-19-7-12(3-15,4-16)8-20-10/h9-10H,1-8H2
InChIKeyVIPDVUXBSAZLAX-UHFFFAOYSA-N
MW368.08 g/mol
LogP2.66
Rot. Bonds5

About 2-[5,5-bis(chloromethyl)-1,3-dioxan-2-yl]-5,5-bis(chloromethyl)-1,3-dioxane

2-[5,5-bis(chloromethyl)-1,3-dioxan-2-yl]-5,5-bis(chloromethyl)-1,3-dioxane (PubChem CID 71388553) has the molecular formula C12H18Cl4O4 and a molecular weight of 368.08 g/mol. Its IUPAC name is 2-[5,5-bis(chloromethyl)-1,3-dioxan-2-yl]-5,5-bis(chloromethyl)-1,3-dioxane.

Molecular Properties

Compound Name2-[5,5-bis(chloromethyl)-1,3-dioxan-2-yl]-5,5-bis(chloromethyl)-1,3-dioxane
PubChem CID71388553
Molecular FormulaC12H18Cl4O4
Molecular Weight368.08 g/mol
Exact Mass366.00
IUPAC Name2-[5,5-bis(chloromethyl)-1,3-dioxan-2-yl]-5,5-bis(chloromethyl)-1,3-dioxane
SMILESClCC1(CCl)COC(C2OCC(CCl)(CCl)CO2)OC1
InChIInChI=1S/C12H18Cl4O4/c13-1-11(2-14)5-17-9(18-6-11)10-19-7-12(3-15,4-16)8-20-10/h9-10H,1-8H2
InChIKeyVIPDVUXBSAZLAX-UHFFFAOYSA-N
XLogP2.66
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.08
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[5,5-bis(chloromethyl)-1,3-dioxan-2-yl]-5,5-bis(chloromethyl)-1,3-dioxane?
The IUPAC name of 2-[5,5-bis(chloromethyl)-1,3-dioxan-2-yl]-5,5-bis(chloromethyl)-1,3-dioxane (CID 71388553) is 2-[5,5-bis(chloromethyl)-1,3-dioxan-2-yl]-5,5-bis(chloromethyl)-1,3-dioxane.
What is the SMILES notation for 2-[5,5-bis(chloromethyl)-1,3-dioxan-2-yl]-5,5-bis(chloromethyl)-1,3-dioxane?
The canonical SMILES for 2-[5,5-bis(chloromethyl)-1,3-dioxan-2-yl]-5,5-bis(chloromethyl)-1,3-dioxane is ClCC1(CCl)COC(C2OCC(CCl)(CCl)CO2)OC1.
What is the InChIKey of 2-[5,5-bis(chloromethyl)-1,3-dioxan-2-yl]-5,5-bis(chloromethyl)-1,3-dioxane?
The InChIKey is VIPDVUXBSAZLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl4O4/c13-1-11(2-14)5-17-9(18-6-11)10-19-7-12(3-15,4-16)8-20-10/h9-10H,1-8H2.
What are the key properties of 2-[5,5-bis(chloromethyl)-1,3-dioxan-2-yl]-5,5-bis(chloromethyl)-1,3-dioxane?
2-[5,5-bis(chloromethyl)-1,3-dioxan-2-yl]-5,5-bis(chloromethyl)-1,3-dioxane has a molecular weight of 368.08 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5-bis(chloromethyl)-1,3-dioxan-2-yl]-5,5-bis(chloromethyl)-1,3-dioxane is sourced from PubChem (CID 71388553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).