6-[3-(2,5-dioxoimidazolidin-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate

C16H24N2O6 — CID 157357273

IUPAC6-[3-(2,5-dioxoimidazolidin-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCOC(=O)CCC1NC(=O)NC1=O
InChIInChI=1S/C16H24N2O6/c1-11(2)15(21)24-10-6-4-3-5-9-23-13(19)8-7-12-14(20)18-16(22)17-12/h12H,1,3-10H2,2H3,(H2,17,18,20,22)
InChIKeyBIFTYFNLJUUWBB-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.20
Rot. Bonds11

About 6-[3-(2,5-dioxoimidazolidin-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate

6-[3-(2,5-dioxoimidazolidin-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate (PubChem CID 157357273) has the molecular formula C16H24N2O6 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-[3-(2,5-dioxoimidazolidin-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-[3-(2,5-dioxoimidazolidin-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate
PubChem CID157357273
Molecular FormulaC16H24N2O6
Molecular Weight340.38 g/mol
Exact Mass340.16
IUPAC Name6-[3-(2,5-dioxoimidazolidin-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCOC(=O)CCC1NC(=O)NC1=O
InChIInChI=1S/C16H24N2O6/c1-11(2)15(21)24-10-6-4-3-5-9-23-13(19)8-7-12-14(20)18-16(22)17-12/h12H,1,3-10H2,2H3,(H2,17,18,20,22)
InChIKeyBIFTYFNLJUUWBB-UHFFFAOYSA-N
XLogP1.20
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate
CID 146356521
6-[3-(5-oxo-4H-thiadiazol-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate
CID 175523917
6-[8-(2-methylprop-2-enoyloxy)octoxy]-6-oxohexanoic acid
CID 155658741
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
butyl 3-(3,5-dioxo-1,2,4-triazinan-6-yl)propanoate
CID 78238610
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
2-(2-methylprop-2-enoyloxy)ethyl 6-(4-chlorobutanoyloxy)hexanoate
CID 102447588
7-methyloct-7-enyl 2-methylprop-2-enoate
CID 54224103
1-O-[4-(2-methylprop-2-enoyloxy)butyl] 4-O-propan-2-yl butanedioate
CID 59532922
3-methylbutyl 6-(2-methylprop-2-enoyloxy)hexanoate
CID 134453301
1-O-[8-[(2-methylpropan-2-yl)oxy]octyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate
CID 166506025

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,5-dioxoimidazolidin-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate?
The IUPAC name of 6-[3-(2,5-dioxoimidazolidin-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate (CID 157357273) is 6-[3-(2,5-dioxoimidazolidin-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-[3-(2,5-dioxoimidazolidin-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate?
The canonical SMILES for 6-[3-(2,5-dioxoimidazolidin-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCOC(=O)CCC1NC(=O)NC1=O.
What is the InChIKey of 6-[3-(2,5-dioxoimidazolidin-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate?
The InChIKey is BIFTYFNLJUUWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6/c1-11(2)15(21)24-10-6-4-3-5-9-23-13(19)8-7-12-14(20)18-16(22)17-12/h12H,1,3-10H2,2H3,(H2,17,18,20,22).
What are the key properties of 6-[3-(2,5-dioxoimidazolidin-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate?
6-[3-(2,5-dioxoimidazolidin-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate has a molecular weight of 340.38 g/mol, XLogP of 1.20, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,5-dioxoimidazolidin-4-yl)propanoyloxy]hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 157357273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).