dec-9-eneperoxoic acid

C10H18O3 — CID 177164421

IUPACdec-9-eneperoxoic acid
SMILESC=CCCCCCCCC(=O)OO
InChIInChI=1S/C10H18O3/c1-2-3-4-5-6-7-8-9-10(11)13-12/h2,12H,1,3-9H2
InChIKeyANHOWOKVFHMQQB-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.92
Rot. Bonds8

About dec-9-eneperoxoic acid

dec-9-eneperoxoic acid (PubChem CID 177164421) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is dec-9-eneperoxoic acid.

Molecular Properties

Compound Namedec-9-eneperoxoic acid
PubChem CID177164421
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namedec-9-eneperoxoic acid
SMILESC=CCCCCCCCC(=O)OO
InChIInChI=1S/C10H18O3/c1-2-3-4-5-6-7-8-9-10(11)13-12/h2,12H,1,3-9H2
InChIKeyANHOWOKVFHMQQB-UHFFFAOYSA-N
XLogP2.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-dec-9-enoyloxyethyl dec-9-enoate
CID 153465043
sulfanyl undec-10-enoate
CID 87067735
silyl hept-6-enoate
CID 154077289
bis(pent-4-enyl) decanedioate
CID 91694638
but-3-enyl hept-6-enoate
CID 86101121
undec-9-eneperoxoic acid
CID 118610001
tricosa-1,22-dien-12-one
CID 86210796
2-hydroxyethyl dec-9-enoate
CID 87084822
prop-2-enoyl undec-10-enoate;zinc
CID 174962739
dimethyl octadec-9-enedioate;methyl dec-9-enoate
CID 159471002
ethyl hept-6-enoate
CID 560341
undec-10-enyl 7-undec-10-enoxyheptanoate
CID 140771622

Frequently Asked Questions

What is the IUPAC name of dec-9-eneperoxoic acid?
The IUPAC name of dec-9-eneperoxoic acid (CID 177164421) is dec-9-eneperoxoic acid.
What is the SMILES notation for dec-9-eneperoxoic acid?
The canonical SMILES for dec-9-eneperoxoic acid is C=CCCCCCCCC(=O)OO.
What is the InChIKey of dec-9-eneperoxoic acid?
The InChIKey is ANHOWOKVFHMQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-3-4-5-6-7-8-9-10(11)13-12/h2,12H,1,3-9H2.
What are the key properties of dec-9-eneperoxoic acid?
dec-9-eneperoxoic acid has a molecular weight of 186.25 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-eneperoxoic acid is sourced from PubChem (CID 177164421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).