10-phenyl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane

C14H19NO4 — CID 142767124

IUPAC10-phenyl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
SMILESc1ccc(N2COOC3(CCCCC3)OOC2)cc1
InChIInChI=1S/C14H19NO4/c1-3-7-13(8-4-1)15-11-16-18-14(19-17-12-15)9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-12H2
InChIKeyWSTQWCMYOOOCSC-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.98
Rot. Bonds1

About 10-phenyl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane

10-phenyl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane (PubChem CID 142767124) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 10-phenyl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane.

Molecular Properties

Compound Name10-phenyl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
PubChem CID142767124
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name10-phenyl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
SMILESc1ccc(N2COOC3(CCCCC3)OOC2)cc1
InChIInChI=1S/C14H19NO4/c1-3-7-13(8-4-1)15-11-16-18-14(19-17-12-15)9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-12H2
InChIKeyWSTQWCMYOOOCSC-UHFFFAOYSA-N
XLogP2.98
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.98
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
11-(4-Fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane
CID 138455276
9-(4-Fluorophenyl)-6,7,11,12-tetraoxa-9-azaspiro [4.7]dodecane
CID 138455257
9-(3-Fluorophenyl)-6,7,11,12-tetraoxa-9-azaspiro[4.7]dodecane
CID 138455259
10-(3-Fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 138455267
4-(4-Fluorophenyl)-1,2,6,7-tetraoxa-4-azaspiro[7.7]pentadecane
CID 139204678
7-(4-Fluorophenyl)-3-hexyl-3-methyl-1,2,4,5,7-tetraoxazocane
CID 167530484
11-(2-Fluorophenyl)-2,3,5,6-tetraoxa-11-azaspiro[bicyclo[5.3.1]undecane-4,1'-cyclohexane]
CID 168338889
N-[(Tert-butylperoxy)methyl]-N-methylaniline
CID 10889146
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
10-(2-Fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane
CID 142767126

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane?
The IUPAC name of 10-phenyl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane (CID 142767124) is 10-phenyl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane.
What is the SMILES notation for 10-phenyl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane?
The canonical SMILES for 10-phenyl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane is c1ccc(N2COOC3(CCCCC3)OOC2)cc1.
What is the InChIKey of 10-phenyl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane?
The InChIKey is WSTQWCMYOOOCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-7-13(8-4-1)15-11-16-18-14(19-17-12-15)9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-12H2.
What are the key properties of 10-phenyl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane?
10-phenyl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane has a molecular weight of 265.31 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane is sourced from PubChem (CID 142767124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).