azane;7-carboxyoxyperoxyheptanoic acid

C8H17NO7 — CID 175355971

IUPACazane;7-carboxyoxyperoxyheptanoic acid
SMILESN.O=C(O)CCCCCCOOOC(=O)O
InChIInChI=1S/C8H14O7.H3N/c9-7(10)5-3-1-2-4-6-13-15-14-8(11)12;/h1-6H2,(H,9,10)(H,11,12);1H3
InChIKeyWOPLAWRNIRFIDA-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.74
Rot. Bonds9

About azane;7-carboxyoxyperoxyheptanoic acid

azane;7-carboxyoxyperoxyheptanoic acid (PubChem CID 175355971) has the molecular formula C8H17NO7 and a molecular weight of 239.22 g/mol. Its IUPAC name is azane;7-carboxyoxyperoxyheptanoic acid.

Molecular Properties

Compound Nameazane;7-carboxyoxyperoxyheptanoic acid
PubChem CID175355971
Molecular FormulaC8H17NO7
Molecular Weight239.22 g/mol
Exact Mass239.10
IUPAC Nameazane;7-carboxyoxyperoxyheptanoic acid
SMILESN.O=C(O)CCCCCCOOOC(=O)O
InChIInChI=1S/C8H14O7.H3N/c9-7(10)5-3-1-2-4-6-13-15-14-8(11)12;/h1-6H2,(H,9,10)(H,11,12);1H3
InChIKeyWOPLAWRNIRFIDA-UHFFFAOYSA-N
XLogP1.74
TPSA137.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

7-(trioxidanyl)heptanoic acid
CID 150083472
7-chloroperoxyheptanoic acid
CID 142431695
7-methylperoxyheptanoic acid
CID 156663911
azane;tridecanedioic acid
CID 174979532
azane;decanedioic acid;nonanedioic acid
CID 174896485
octoxyperoxy hydrogen carbonate
CID 23448449
heptoxyperoxyperoxy hydrogen carbonate
CID 19818711
octadecoxyperoxyperoxyperoxy hydrogen carbonate
CID 162505521
undecylperoxyperoxy hydrogen carbonate
CID 18427254
decylperoxyperoxy hydrogen carbonate
CID 22639367
azane;decanedioic acid;tetrahydrate
CID 175249510
tetradecanedioic acid
CID 13185

Frequently Asked Questions

What is the IUPAC name of azane;7-carboxyoxyperoxyheptanoic acid?
The IUPAC name of azane;7-carboxyoxyperoxyheptanoic acid (CID 175355971) is azane;7-carboxyoxyperoxyheptanoic acid.
What is the SMILES notation for azane;7-carboxyoxyperoxyheptanoic acid?
The canonical SMILES for azane;7-carboxyoxyperoxyheptanoic acid is N.O=C(O)CCCCCCOOOC(=O)O.
What is the InChIKey of azane;7-carboxyoxyperoxyheptanoic acid?
The InChIKey is WOPLAWRNIRFIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O7.H3N/c9-7(10)5-3-1-2-4-6-13-15-14-8(11)12;/h1-6H2,(H,9,10)(H,11,12);1H3.
What are the key properties of azane;7-carboxyoxyperoxyheptanoic acid?
azane;7-carboxyoxyperoxyheptanoic acid has a molecular weight of 239.22 g/mol, XLogP of 1.74, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;7-carboxyoxyperoxyheptanoic acid is sourced from PubChem (CID 175355971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).