9-hydroperoxydec-9-enoate

C10H17O4- — CID 170925305

IUPAC9-hydroperoxydec-9-enoate
SMILESC=C(CCCCCCCC(=O)[O-])OO
InChIInChI=1S/C10H18O4/c1-9(14-13)7-5-3-2-4-6-8-10(11)12/h13H,1-8H2,(H,11,12)/p-1
InChIKeyYZVMZQZHXLNYRD-UHFFFAOYSA-M
MW201.24 g/mol
LogP1.47
Rot. Bonds9

About 9-hydroperoxydec-9-enoate

9-hydroperoxydec-9-enoate (PubChem CID 170925305) has the molecular formula C10H17O4- and a molecular weight of 201.24 g/mol. Its IUPAC name is 9-hydroperoxydec-9-enoate.

Molecular Properties

Compound Name9-hydroperoxydec-9-enoate
PubChem CID170925305
Molecular FormulaC10H17O4-
Molecular Weight201.24 g/mol
Exact Mass201.11
IUPAC Name9-hydroperoxydec-9-enoate
SMILESC=C(CCCCCCCC(=O)[O-])OO
InChIInChI=1S/C10H18O4/c1-9(14-13)7-5-3-2-4-6-8-10(11)12/h13H,1-8H2,(H,11,12)/p-1
InChIKeyYZVMZQZHXLNYRD-UHFFFAOYSA-M
XLogP1.47
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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

5-hydroperoxyhex-5-enoate
CID 170925302
tridecanedioate
CID 6994474
disodium;undecanedioate
CID 15107599
dipotassium;octadecanedioate
CID 141466899
calcium decanedioate
CID 11637296
decanedioate dichloride
CID 21256251
dibismuth;tris(nonanedioate)
CID 173224370
calcium heptanedioate
CID 71587031
calcium undecanedioate
CID 140969229
copper;zinc;bis(decanedioate)
CID 24880289
diazanium;decanedioate;tetrahydrate
CID 164522068
strontium hexanedioate
CID 134687758

Frequently Asked Questions

What is the IUPAC name of 9-hydroperoxydec-9-enoate?
The IUPAC name of 9-hydroperoxydec-9-enoate (CID 170925305) is 9-hydroperoxydec-9-enoate.
What is the SMILES notation for 9-hydroperoxydec-9-enoate?
The canonical SMILES for 9-hydroperoxydec-9-enoate is C=C(CCCCCCCC(=O)[O-])OO.
What is the InChIKey of 9-hydroperoxydec-9-enoate?
The InChIKey is YZVMZQZHXLNYRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18O4/c1-9(14-13)7-5-3-2-4-6-8-10(11)12/h13H,1-8H2,(H,11,12)/p-1.
What are the key properties of 9-hydroperoxydec-9-enoate?
9-hydroperoxydec-9-enoate has a molecular weight of 201.24 g/mol, XLogP of 1.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroperoxydec-9-enoate is sourced from PubChem (CID 170925305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).