[4-methyl-4-[2-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl]peroxypentan-2-yl] 2-methylprop-2-enoate

C20H34O6 — CID 18986431

IUPAC[4-methyl-4-[2-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl]peroxypentan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CC(C)(C)OOC(C)(C)CC(C)OC(=O)C(=C)C
InChIInChI=1S/C20H34O6/c1-13(2)17(21)23-15(5)11-19(7,8)25-26-20(9,10)12-16(6)24-18(22)14(3)4/h15-16H,1,3,11-12H2,2,4-10H3
InChIKeyUNWKKSKTAKJLFD-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.29
Rot. Bonds11

About [4-methyl-4-[2-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl]peroxypentan-2-yl] 2-methylprop-2-enoate

[4-methyl-4-[2-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl]peroxypentan-2-yl] 2-methylprop-2-enoate (PubChem CID 18986431) has the molecular formula C20H34O6 and a molecular weight of 370.49 g/mol. Its IUPAC name is [4-methyl-4-[2-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl]peroxypentan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-methyl-4-[2-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl]peroxypentan-2-yl] 2-methylprop-2-enoate
PubChem CID18986431
Molecular FormulaC20H34O6
Molecular Weight370.49 g/mol
Exact Mass370.24
IUPAC Name[4-methyl-4-[2-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl]peroxypentan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CC(C)(C)OOC(C)(C)CC(C)OC(=O)C(=C)C
InChIInChI=1S/C20H34O6/c1-13(2)17(21)23-15(5)11-19(7,8)25-26-20(9,10)12-16(6)24-18(22)14(3)4/h15-16H,1,3,11-12H2,2,4-10H3
InChIKeyUNWKKSKTAKJLFD-UHFFFAOYSA-N
XLogP4.29
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-[2-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl]peroxypentan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [4-methyl-4-[2-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl]peroxypentan-2-yl] 2-methylprop-2-enoate (CID 18986431) is [4-methyl-4-[2-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl]peroxypentan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-methyl-4-[2-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl]peroxypentan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [4-methyl-4-[2-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl]peroxypentan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)CC(C)(C)OOC(C)(C)CC(C)OC(=O)C(=C)C.
What is the InChIKey of [4-methyl-4-[2-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl]peroxypentan-2-yl] 2-methylprop-2-enoate?
The InChIKey is UNWKKSKTAKJLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O6/c1-13(2)17(21)23-15(5)11-19(7,8)25-26-20(9,10)12-16(6)24-18(22)14(3)4/h15-16H,1,3,11-12H2,2,4-10H3.
What are the key properties of [4-methyl-4-[2-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl]peroxypentan-2-yl] 2-methylprop-2-enoate?
[4-methyl-4-[2-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl]peroxypentan-2-yl] 2-methylprop-2-enoate has a molecular weight of 370.49 g/mol, XLogP of 4.29, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-[2-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl]peroxypentan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 18986431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).