10,14-bis(3-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane

C22H26Cl2N2O5 — CID 142769983

IUPAC10,14-bis(3-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane
SMILESClc1cccc(N2COCN(c3cccc(Cl)c3)COOC3(CCCCC3)OOC2)c1
InChIInChI=1S/C22H26Cl2N2O5/c23-18-6-4-8-20(12-18)25-14-27-15-26(21-9-5-7-19(24)13-21)17-29-31-22(30-28-16-25)10-2-1-3-11-22/h4-9,12-13H,1-3,10-11,14-17H2
InChIKeyRMWGHIDCIQJIHH-UHFFFAOYSA-N
MW469.37 g/mol
LogP5.72
Rot. Bonds2

About 10,14-bis(3-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane

10,14-bis(3-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane (PubChem CID 142769983) has the molecular formula C22H26Cl2N2O5 and a molecular weight of 469.37 g/mol. Its IUPAC name is 10,14-bis(3-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane.

Molecular Properties

Compound Name10,14-bis(3-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane
PubChem CID142769983
Molecular FormulaC22H26Cl2N2O5
Molecular Weight469.37 g/mol
Exact Mass468.12
IUPAC Name10,14-bis(3-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane
SMILESClc1cccc(N2COCN(c3cccc(Cl)c3)COOC3(CCCCC3)OOC2)c1
InChIInChI=1S/C22H26Cl2N2O5/c23-18-6-4-8-20(12-18)25-14-27-15-26(21-9-5-7-19(24)13-21)17-29-31-22(30-28-16-25)10-2-1-3-11-22/h4-9,12-13H,1-3,10-11,14-17H2
InChIKeyRMWGHIDCIQJIHH-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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Related Compounds

10-(4-Chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 138455266
10-(3-Chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 138455268
11-(3-Chlorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane
CID 138455278
10,14-Bis(3-chlorophenyl)-12-(4-fluorophenyl)-7,8,16,17-tetraoxa-10,12,14-triazaspiro[5.11]heptadecane
CID 142769985
3-chloro-N-[[1-[(3-chloroanilino)methylperoxy]cycloheptyl]peroxymethyl]aniline
CID 155809296
3-chloro-N-[[1-[(3-chloroanilino)methylperoxy]cyclohexyl]peroxymethyl]aniline
CID 155813959
9-(3-Chlorophenyl)-6,7,11,12-tetraoxa-9-azaspiro[4.7]dodecane
CID 138455260
N,N-bis(butoxymethyl)-3-chloroaniline
CID 327619
3-chloro-N-(1-cyclohexyloxyethyl)-N-ethylaniline
CID 70633029
10-(2-Chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 142767129
10,12,14-Tris(3-chlorophenyl)-7,8,16,17-tetraoxa-10,12,14-triazaspiro[5.11]heptadecane
CID 142769984
10,14-Bis(2-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane
CID 142769989

Frequently Asked Questions

What is the IUPAC name of 10,14-bis(3-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane?
The IUPAC name of 10,14-bis(3-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane (CID 142769983) is 10,14-bis(3-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane.
What is the SMILES notation for 10,14-bis(3-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane?
The canonical SMILES for 10,14-bis(3-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane is Clc1cccc(N2COCN(c3cccc(Cl)c3)COOC3(CCCCC3)OOC2)c1.
What is the InChIKey of 10,14-bis(3-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane?
The InChIKey is RMWGHIDCIQJIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O5/c23-18-6-4-8-20(12-18)25-14-27-15-26(21-9-5-7-19(24)13-21)17-29-31-22(30-28-16-25)10-2-1-3-11-22/h4-9,12-13H,1-3,10-11,14-17H2.
What are the key properties of 10,14-bis(3-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane?
10,14-bis(3-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(3-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane is sourced from PubChem (CID 142769983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).