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

C19H18Cl2O4 — CID 3661142

IUPAC3,9-bis(3-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
SMILESClc1cccc(C2OCC3(CO2)COC(c2cccc(Cl)c2)OC3)c1
InChIInChI=1S/C19H18Cl2O4/c20-15-5-1-3-13(7-15)17-22-9-19(10-23-17)11-24-18(25-12-19)14-4-2-6-16(21)8-14/h1-8,17-18H,9-12H2
InChIKeyUMEKZMXMDGCPQP-UHFFFAOYSA-N
MW381.25 g/mol
LogP4.77
Rot. Bonds2

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

3,9-bis(3-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane (PubChem CID 3661142) has the molecular formula C19H18Cl2O4 and a molecular weight of 381.25 g/mol. Its IUPAC name is 3,9-bis(3-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-bis(3-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
PubChem CID3661142
Molecular FormulaC19H18Cl2O4
Molecular Weight381.25 g/mol
Exact Mass380.06
IUPAC Name3,9-bis(3-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
SMILESClc1cccc(C2OCC3(CO2)COC(c2cccc(Cl)c2)OC3)c1
InChIInChI=1S/C19H18Cl2O4/c20-15-5-1-3-13(7-15)17-22-9-19(10-23-17)11-24-18(25-12-19)14-4-2-6-16(21)8-14/h1-8,17-18H,9-12H2
InChIKeyUMEKZMXMDGCPQP-UHFFFAOYSA-N
XLogP4.77
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,9-bis(3-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
The IUPAC name of 3,9-bis(3-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane (CID 3661142) is 3,9-bis(3-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane.
What is the SMILES notation for 3,9-bis(3-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
The canonical SMILES for 3,9-bis(3-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane is Clc1cccc(C2OCC3(CO2)COC(c2cccc(Cl)c2)OC3)c1.
What is the InChIKey of 3,9-bis(3-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
The InChIKey is UMEKZMXMDGCPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2O4/c20-15-5-1-3-13(7-15)17-22-9-19(10-23-17)11-24-18(25-12-19)14-4-2-6-16(21)8-14/h1-8,17-18H,9-12H2.
What are the key properties of 3,9-bis(3-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
3,9-bis(3-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane has a molecular weight of 381.25 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis(3-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane is sourced from PubChem (CID 3661142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).