3,9-bis(trichloromethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane

C9H10Cl6O4 — CID 3427869

IUPAC3,9-bis(trichloromethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
SMILESClC(Cl)(Cl)C1OCC2(CO1)COC(C(Cl)(Cl)Cl)OC2
InChIInChI=1S/C9H10Cl6O4/c10-8(11,12)5-16-1-7(2-17-5)3-18-6(19-4-7)9(13,14)15/h5-6H,1-4H2
InChIKeyLHIAAHFYCAMIEO-UHFFFAOYSA-N
MW394.89 g/mol
LogP3.46
Rot. Bonds

About 3,9-bis(trichloromethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane

3,9-bis(trichloromethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane (PubChem CID 3427869) has the molecular formula C9H10Cl6O4 and a molecular weight of 394.89 g/mol. Its IUPAC name is 3,9-bis(trichloromethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-bis(trichloromethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
PubChem CID3427869
Molecular FormulaC9H10Cl6O4
Molecular Weight394.89 g/mol
Exact Mass391.87
IUPAC Name3,9-bis(trichloromethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
SMILESClC(Cl)(Cl)C1OCC2(CO1)COC(C(Cl)(Cl)Cl)OC2
InChIInChI=1S/C9H10Cl6O4/c10-8(11,12)5-16-1-7(2-17-5)3-18-6(19-4-7)9(13,14)15/h5-6H,1-4H2
InChIKeyLHIAAHFYCAMIEO-UHFFFAOYSA-N
XLogP3.46
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.89
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,9-Bis(chloromethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 59016871
3-(Chloromethyl)-9-methyl-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 20657640

Frequently Asked Questions

What is the IUPAC name of 3,9-bis(trichloromethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
The IUPAC name of 3,9-bis(trichloromethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane (CID 3427869) is 3,9-bis(trichloromethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane.
What is the SMILES notation for 3,9-bis(trichloromethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
The canonical SMILES for 3,9-bis(trichloromethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane is ClC(Cl)(Cl)C1OCC2(CO1)COC(C(Cl)(Cl)Cl)OC2.
What is the InChIKey of 3,9-bis(trichloromethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
The InChIKey is LHIAAHFYCAMIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl6O4/c10-8(11,12)5-16-1-7(2-17-5)3-18-6(19-4-7)9(13,14)15/h5-6H,1-4H2.
What are the key properties of 3,9-bis(trichloromethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
3,9-bis(trichloromethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane has a molecular weight of 394.89 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis(trichloromethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane is sourced from PubChem (CID 3427869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).