10,14-bis(2-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane

C22H26Cl2N2O5 — CID 142769989

IUPAC10,14-bis(2-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane
SMILESClc1ccccc1N1COCN(c2ccccc2Cl)COOC2(CCCCC2)OOC1
InChIInChI=1S/C22H26Cl2N2O5/c23-18-8-2-4-10-20(18)25-14-27-15-26(21-11-5-3-9-19(21)24)17-29-31-22(30-28-16-25)12-6-1-7-13-22/h2-5,8-11H,1,6-7,12-17H2
InChIKeyFXZQTEVCUFJUEU-UHFFFAOYSA-N
MW469.37 g/mol
LogP5.72
Rot. Bonds2

About 10,14-bis(2-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane

10,14-bis(2-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane (PubChem CID 142769989) has the molecular formula C22H26Cl2N2O5 and a molecular weight of 469.37 g/mol. Its IUPAC name is 10,14-bis(2-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane.

Molecular Properties

Compound Name10,14-bis(2-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane
PubChem CID142769989
Molecular FormulaC22H26Cl2N2O5
Molecular Weight469.37 g/mol
Exact Mass468.12
IUPAC Name10,14-bis(2-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane
SMILESClc1ccccc1N1COCN(c2ccccc2Cl)COOC2(CCCCC2)OOC1
InChIInChI=1S/C22H26Cl2N2O5/c23-18-8-2-4-10-20(18)25-14-27-15-26(21-11-5-3-9-19(21)24)17-29-31-22(30-28-16-25)12-6-1-7-13-22/h2-5,8-11H,1,6-7,12-17H2
InChIKeyFXZQTEVCUFJUEU-UHFFFAOYSA-N
XLogP5.72
TPSA52.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.37
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10,14-bis(2-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane?
The IUPAC name of 10,14-bis(2-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane (CID 142769989) is 10,14-bis(2-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane.
What is the SMILES notation for 10,14-bis(2-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane?
The canonical SMILES for 10,14-bis(2-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane is Clc1ccccc1N1COCN(c2ccccc2Cl)COOC2(CCCCC2)OOC1.
What is the InChIKey of 10,14-bis(2-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane?
The InChIKey is FXZQTEVCUFJUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O5/c23-18-8-2-4-10-20(18)25-14-27-15-26(21-11-5-3-9-19(21)24)17-29-31-22(30-28-16-25)12-6-1-7-13-22/h2-5,8-11H,1,6-7,12-17H2.
What are the key properties of 10,14-bis(2-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane?
10,14-bis(2-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane has a molecular weight of 469.37 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10,14-bis(2-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane is sourced from PubChem (CID 142769989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).