11-(4-chlorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane

C15H20ClNO4 — CID 138455277

IUPAC11-(4-chlorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane
SMILESClc1ccc(N2COOC3(CCCCCC3)OOC2)cc1
InChIInChI=1S/C15H20ClNO4/c16-13-5-7-14(8-6-13)17-11-18-20-15(21-19-12-17)9-3-1-2-4-10-15/h5-8H,1-4,9-12H2
InChIKeyKCLWULFVKXERBJ-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.02
Rot. Bonds1

About 11-(4-chlorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane

11-(4-chlorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane (PubChem CID 138455277) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 11-(4-chlorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane.

Molecular Properties

Compound Name11-(4-chlorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane
PubChem CID138455277
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name11-(4-chlorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane
SMILESClc1ccc(N2COOC3(CCCCCC3)OOC2)cc1
InChIInChI=1S/C15H20ClNO4/c16-13-5-7-14(8-6-13)17-11-18-20-15(21-19-12-17)9-3-1-2-4-10-15/h5-8H,1-4,9-12H2
InChIKeyKCLWULFVKXERBJ-UHFFFAOYSA-N
XLogP4.02
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

11-(4-Fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane
CID 138455276
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
(1s,4r)-10-(4-Chlorophenyl)-4-methyl-1-(propan-2-yl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 139204677
9-(4-Chlorophenyl)-6,7,11,12-tetraoxa-9-azaspiro[4.7]dodecane
CID 138455258
9-(3-Chlorophenyl)-6,7,11,12-tetraoxa-9-azaspiro[4.7]dodecane
CID 138455260
10-(2-Chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 142767129

Frequently Asked Questions

What is the IUPAC name of 11-(4-chlorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane?
The IUPAC name of 11-(4-chlorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane (CID 138455277) is 11-(4-chlorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane.
What is the SMILES notation for 11-(4-chlorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane?
The canonical SMILES for 11-(4-chlorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane is Clc1ccc(N2COOC3(CCCCCC3)OOC2)cc1.
What is the InChIKey of 11-(4-chlorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane?
The InChIKey is KCLWULFVKXERBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c16-13-5-7-14(8-6-13)17-11-18-20-15(21-19-12-17)9-3-1-2-4-10-15/h5-8H,1-4,9-12H2.
What are the key properties of 11-(4-chlorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane?
11-(4-chlorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane has a molecular weight of 313.78 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-chlorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane is sourced from PubChem (CID 138455277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).