2-[2-(2,4,4-trimethylpentan-2-yloxyperoxycarbonyloxy)ethoxy]ethyl 2-methylprop-2-enoate

C17H30O8 — CID 54172897

IUPAC2-[2-(2,4,4-trimethylpentan-2-yloxyperoxycarbonyloxy)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCOC(=O)OOOC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H30O8/c1-13(2)14(18)21-10-8-20-9-11-22-15(19)23-25-24-17(6,7)12-16(3,4)5/h1,8-12H2,2-7H3
InChIKeyOWGGRVCMQFRZPU-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.35
Rot. Bonds11

About 2-[2-(2,4,4-trimethylpentan-2-yloxyperoxycarbonyloxy)ethoxy]ethyl 2-methylprop-2-enoate

2-[2-(2,4,4-trimethylpentan-2-yloxyperoxycarbonyloxy)ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 54172897) has the molecular formula C17H30O8 and a molecular weight of 362.42 g/mol. Its IUPAC name is 2-[2-(2,4,4-trimethylpentan-2-yloxyperoxycarbonyloxy)ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(2,4,4-trimethylpentan-2-yloxyperoxycarbonyloxy)ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID54172897
Molecular FormulaC17H30O8
Molecular Weight362.42 g/mol
Exact Mass362.19
IUPAC Name2-[2-(2,4,4-trimethylpentan-2-yloxyperoxycarbonyloxy)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCOC(=O)OOOC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H30O8/c1-13(2)14(18)21-10-8-20-9-11-22-15(19)23-25-24-17(6,7)12-16(3,4)5/h1,8-12H2,2-7H3
InChIKeyOWGGRVCMQFRZPU-UHFFFAOYSA-N
XLogP3.35
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-(2-bromooxy-2-methylpropoxy)ethyl 2-methylprop-2-enoate
CID 87178004
bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 158009828
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22918033
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 162171139
2-(2-aminoethoxy)ethyl 2-methylprop-2-enoate
CID 20573934
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 23189778
2-[3-(1-chloro-2-methylpropan-2-yl)oxy-3-oxopropoxy]ethyl 2-methylprop-2-enoate
CID 20643741
2,4,4-trimethylpentan-2-yloxy 5-(2,4,4-trimethylpentan-2-ylperoxycarbonyloxy)pentyl carbonate
CID 139639655

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4,4-trimethylpentan-2-yloxyperoxycarbonyloxy)ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(2,4,4-trimethylpentan-2-yloxyperoxycarbonyloxy)ethoxy]ethyl 2-methylprop-2-enoate (CID 54172897) is 2-[2-(2,4,4-trimethylpentan-2-yloxyperoxycarbonyloxy)ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(2,4,4-trimethylpentan-2-yloxyperoxycarbonyloxy)ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(2,4,4-trimethylpentan-2-yloxyperoxycarbonyloxy)ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCOC(=O)OOOC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-[2-(2,4,4-trimethylpentan-2-yloxyperoxycarbonyloxy)ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is OWGGRVCMQFRZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O8/c1-13(2)14(18)21-10-8-20-9-11-22-15(19)23-25-24-17(6,7)12-16(3,4)5/h1,8-12H2,2-7H3.
What are the key properties of 2-[2-(2,4,4-trimethylpentan-2-yloxyperoxycarbonyloxy)ethoxy]ethyl 2-methylprop-2-enoate?
2-[2-(2,4,4-trimethylpentan-2-yloxyperoxycarbonyloxy)ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 362.42 g/mol, XLogP of 3.35, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4,4-trimethylpentan-2-yloxyperoxycarbonyloxy)ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 54172897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).