10-(4-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane

C14H18ClNO4 — CID 138455266

IUPAC10-(4-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
SMILESClc1ccc(N2COOC3(CCCCC3)OOC2)cc1
InChIInChI=1S/C14H18ClNO4/c15-12-4-6-13(7-5-12)16-10-17-19-14(20-18-11-16)8-2-1-3-9-14/h4-7H,1-3,8-11H2
InChIKeyZQVWCGDDXQQCAC-UHFFFAOYSA-N
MW299.75 g/mol
LogP3.63
Rot. Bonds1

About 10-(4-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane

10-(4-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane (PubChem CID 138455266) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 10-(4-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane.

Molecular Properties

Compound Name10-(4-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
PubChem CID138455266
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name10-(4-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
SMILESClc1ccc(N2COOC3(CCCCC3)OOC2)cc1
InChIInChI=1S/C14H18ClNO4/c15-12-4-6-13(7-5-12)16-10-17-19-14(20-18-11-16)8-2-1-3-9-14/h4-7H,1-3,8-11H2
InChIKeyZQVWCGDDXQQCAC-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-(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
(1s,4r)-10-(4-Chlorophenyl)-4-methyl-1-(propan-2-yl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 139204677
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
7'-(4-Chlorophenyl)spiro[bicyclo[2.2.1]heptane-2,3'-[1,2,4,5,7]tetraoxazocane]
CID 139599987
N,N-bis(butoxymethyl)-4-chloroaniline
CID 321395
4-chloro-N,N-bis(hexoxymethyl)aniline
CID 328053

Frequently Asked Questions

What is the IUPAC name of 10-(4-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane?
The IUPAC name of 10-(4-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane (CID 138455266) is 10-(4-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane.
What is the SMILES notation for 10-(4-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane?
The canonical SMILES for 10-(4-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane is Clc1ccc(N2COOC3(CCCCC3)OOC2)cc1.
What is the InChIKey of 10-(4-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane?
The InChIKey is ZQVWCGDDXQQCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c15-12-4-6-13(7-5-12)16-10-17-19-14(20-18-11-16)8-2-1-3-9-14/h4-7H,1-3,8-11H2.
What are the key properties of 10-(4-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane?
10-(4-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-(4-chlorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane is sourced from PubChem (CID 138455266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).