amino nonaneperoxoate

C9H19NO3 — CID 174849727

IUPACamino nonaneperoxoate
SMILESCCCCCCCCC(=O)OON
InChIInChI=1S/C9H19NO3/c1-2-3-4-5-6-7-8-9(11)12-13-10/h2-8,10H2,1H3
InChIKeyBJZHQQZEVLRSBJ-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.09
Rot. Bonds8

About amino nonaneperoxoate

amino nonaneperoxoate (PubChem CID 174849727) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is amino nonaneperoxoate.

Molecular Properties

Compound Nameamino nonaneperoxoate
PubChem CID174849727
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameamino nonaneperoxoate
SMILESCCCCCCCCC(=O)OON
InChIInChI=1S/C9H19NO3/c1-2-3-4-5-6-7-8-9(11)12-13-10/h2-8,10H2,1H3
InChIKeyBJZHQQZEVLRSBJ-UHFFFAOYSA-N
XLogP2.09
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

heptadecanoyl heptadecaneperoxoate
CID 53438513
heptanoyl octaneperoxoate
CID 142686679
octanoyl tridecaneperoxoate
CID 141014591
butanoyl octaneperoxoate
CID 155389347
undecanoyloxy undecaneperoxoate
CID 88844001
propanoyl dodecaneperoxoate
CID 88596729
dodecanoyl dodecaneperoxoate;propan-2-ol
CID 174989441
acetyl ethaneperoxoate;decanoyl decaneperoxoate;dodecanoyl dodecaneperoxoate
CID 159864612
acetyl decaneperoxoate
CID 18943120
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227

Frequently Asked Questions

What is the IUPAC name of amino nonaneperoxoate?
The IUPAC name of amino nonaneperoxoate (CID 174849727) is amino nonaneperoxoate.
What is the SMILES notation for amino nonaneperoxoate?
The canonical SMILES for amino nonaneperoxoate is CCCCCCCCC(=O)OON.
What is the InChIKey of amino nonaneperoxoate?
The InChIKey is BJZHQQZEVLRSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-2-3-4-5-6-7-8-9(11)12-13-10/h2-8,10H2,1H3.
What are the key properties of amino nonaneperoxoate?
amino nonaneperoxoate has a molecular weight of 189.25 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino nonaneperoxoate is sourced from PubChem (CID 174849727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).