10-(2-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane

C14H18ClNO4 — CID 142767129

IUPAC10-(2-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
SMILESClc1ccccc1N1COOC2(CCCCC2)OOC1
InChIInChI=1S/C14H18ClNO4/c15-12-6-2-3-7-13(12)16-10-17-19-14(20-18-11-16)8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-11H2
InChIKeyJQPOVUPFGMINAQ-UHFFFAOYSA-N
MW299.75 g/mol
LogP3.63
Rot. Bonds1

About 10-(2-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane

10-(2-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane (PubChem CID 142767129) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 10-(2-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane.

Molecular Properties

Compound Name10-(2-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
PubChem CID142767129
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name10-(2-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
SMILESClc1ccccc1N1COOC2(CCCCC2)OOC1
InChIInChI=1S/C14H18ClNO4/c15-12-6-2-3-7-13(12)16-10-17-19-14(20-18-11-16)8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-11H2
InChIKeyJQPOVUPFGMINAQ-UHFFFAOYSA-N
XLogP3.63
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 53.63
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

10-(4-Fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 138455265
10-(3-Fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 138455267
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-(4-Chlorophenyl)-8,9,13,14-tetraoxa-11azaspiro[6.7]tetradecane
CID 138455277
11-(3-Chlorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane
CID 138455278
10-(2-Fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 142767126
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
Benzenamine,N-bis(butoxymethyl)-2-chloro-
CID 327613
10-Phenyl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 142767124
10,14-Bis(3-chlorophenyl)-7,8,12,16,17-pentaoxa-10,14-diazaspiro[5.11]heptadecane
CID 142769983

Frequently Asked Questions

What is the IUPAC name of 10-(2-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane?
The IUPAC name of 10-(2-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane (CID 142767129) is 10-(2-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane.
What is the SMILES notation for 10-(2-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane?
The canonical SMILES for 10-(2-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane is Clc1ccccc1N1COOC2(CCCCC2)OOC1.
What is the InChIKey of 10-(2-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane?
The InChIKey is JQPOVUPFGMINAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c15-12-6-2-3-7-13(12)16-10-17-19-14(20-18-11-16)8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-11H2.
What are the key properties of 10-(2-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane?
10-(2-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane has a molecular weight of 299.75 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane is sourced from PubChem (CID 142767129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).