decyl 4-methoxybenzenecarboperoxoate

C18H28O4 — CID 173266038

IUPACdecyl 4-methoxybenzenecarboperoxoate
SMILESCCCCCCCCCCOOC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-15-21-22-18(19)16-11-13-17(20-2)14-12-16/h11-14H,3-10,15H2,1-2H3
InChIKeyWGZGQALBDLPVER-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.92
Rot. Bonds12

About decyl 4-methoxybenzenecarboperoxoate

decyl 4-methoxybenzenecarboperoxoate (PubChem CID 173266038) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is decyl 4-methoxybenzenecarboperoxoate.

Molecular Properties

Compound Namedecyl 4-methoxybenzenecarboperoxoate
PubChem CID173266038
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Namedecyl 4-methoxybenzenecarboperoxoate
SMILESCCCCCCCCCCOOC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-15-21-22-18(19)16-11-13-17(20-2)14-12-16/h11-14H,3-10,15H2,1-2H3
InChIKeyWGZGQALBDLPVER-UHFFFAOYSA-N
XLogP4.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.92
H-Bond Donors ≤ 50
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

icosyl 4-methoxybenzoate
CID 71438594
pentyl 4-ethoxybenzenecarboperoxoate
CID 173266271
heptyl 4-trimethylsilylbenzenecarboperoxoate
CID 173265584
(4-methoxyphenyl) 4-hexadecoxybenzoate
CID 4038467
octadecyl 4-propan-2-ylbenzenecarboperoxoate
CID 173266400
[4-(4-octoxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 101022439
cerium;pentyl benzenecarboperoxoate
CID 159802548
bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl] benzene-1,4-dicarboperoxoate
CID 154255767
(4-methoxyphenyl) 4-pentoxybenzoate
CID 23011479
1-dodecylperoxydodecane;(4-methylbenzoyl) 4-methylbenzenecarboperoxoate
CID 174783288
8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate
CID 22375919
butyl 4-trimethylsilylbenzenecarboperoxoate
CID 173266765

Frequently Asked Questions

What is the IUPAC name of decyl 4-methoxybenzenecarboperoxoate?
The IUPAC name of decyl 4-methoxybenzenecarboperoxoate (CID 173266038) is decyl 4-methoxybenzenecarboperoxoate.
What is the SMILES notation for decyl 4-methoxybenzenecarboperoxoate?
The canonical SMILES for decyl 4-methoxybenzenecarboperoxoate is CCCCCCCCCCOOC(=O)c1ccc(OC)cc1.
What is the InChIKey of decyl 4-methoxybenzenecarboperoxoate?
The InChIKey is WGZGQALBDLPVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-15-21-22-18(19)16-11-13-17(20-2)14-12-16/h11-14H,3-10,15H2,1-2H3.
What are the key properties of decyl 4-methoxybenzenecarboperoxoate?
decyl 4-methoxybenzenecarboperoxoate has a molecular weight of 308.42 g/mol, XLogP of 4.92, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 4-methoxybenzenecarboperoxoate is sourced from PubChem (CID 173266038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).