bis[2-(2-methylprop-2-enoyloxy)ethyl] 5,7-dimethyladamantane-1,3-dicarboxylate

C26H36O8 — CID 70192127

IUPACbis[2-(2-methylprop-2-enoyloxy)ethyl] 5,7-dimethyladamantane-1,3-dicarboxylate
SMILESC=C(C)C(=O)OCCOC(=O)C12CC3(C)CC(C)(C1)CC(C(=O)OCCOC(=O)C(=C)C)(C3)C2
InChIInChI=1S/C26H36O8/c1-17(2)19(27)31-7-9-33-21(29)25-12-23(5)11-24(6,13-25)15-26(14-23,16-25)22(30)34-10-8-32-20(28)18(3)4/h1,3,7-16H2,2,4-6H3
InChIKeyNAODIOPFYBHGDJ-UHFFFAOYSA-N
MW476.57 g/mol
LogP3.68
Rot. Bonds10

About bis[2-(2-methylprop-2-enoyloxy)ethyl] 5,7-dimethyladamantane-1,3-dicarboxylate

bis[2-(2-methylprop-2-enoyloxy)ethyl] 5,7-dimethyladamantane-1,3-dicarboxylate (PubChem CID 70192127) has the molecular formula C26H36O8 and a molecular weight of 476.57 g/mol. Its IUPAC name is bis[2-(2-methylprop-2-enoyloxy)ethyl] 5,7-dimethyladamantane-1,3-dicarboxylate.

Molecular Properties

Compound Namebis[2-(2-methylprop-2-enoyloxy)ethyl] 5,7-dimethyladamantane-1,3-dicarboxylate
PubChem CID70192127
Molecular FormulaC26H36O8
Molecular Weight476.57 g/mol
Exact Mass476.24
IUPAC Namebis[2-(2-methylprop-2-enoyloxy)ethyl] 5,7-dimethyladamantane-1,3-dicarboxylate
SMILESC=C(C)C(=O)OCCOC(=O)C12CC3(C)CC(C)(C1)CC(C(=O)OCCOC(=O)C(=C)C)(C3)C2
InChIInChI=1S/C26H36O8/c1-17(2)19(27)31-7-9-33-21(29)25-12-23(5)11-24(6,13-25)15-26(14-23,16-25)22(30)34-10-8-32-20(28)18(3)4/h1,3,7-16H2,2,4-6H3
InChIKeyNAODIOPFYBHGDJ-UHFFFAOYSA-N
XLogP3.68
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze bis[2-(2-methylprop-2-enoyloxy)ethyl] 5,7-dimethyladamantane-1,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2-hydroxyethyl)-5,7-dimethyl-1-adamantyl]ethyl 2-methylprop-2-enoate
CID 68551017
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
[2-[(3,5-dimethyladamantane-1-carbonyl)oxymethyl]-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 3,5-dimethyladamantane-1-carboxylate
CID 18757357
5,7-dimethyl-2,2-bis[3-(2-methylprop-2-enoyloxy)propyl]adamantane-1,3-dicarboxylic acid
CID 18757371
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-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-methylprop-2-enoyloxy)ethyl] 5,7-dimethyladamantane-1,3-dicarboxylate?
The IUPAC name of bis[2-(2-methylprop-2-enoyloxy)ethyl] 5,7-dimethyladamantane-1,3-dicarboxylate (CID 70192127) is bis[2-(2-methylprop-2-enoyloxy)ethyl] 5,7-dimethyladamantane-1,3-dicarboxylate.
What is the SMILES notation for bis[2-(2-methylprop-2-enoyloxy)ethyl] 5,7-dimethyladamantane-1,3-dicarboxylate?
The canonical SMILES for bis[2-(2-methylprop-2-enoyloxy)ethyl] 5,7-dimethyladamantane-1,3-dicarboxylate is C=C(C)C(=O)OCCOC(=O)C12CC3(C)CC(C)(C1)CC(C(=O)OCCOC(=O)C(=C)C)(C3)C2.
What is the InChIKey of bis[2-(2-methylprop-2-enoyloxy)ethyl] 5,7-dimethyladamantane-1,3-dicarboxylate?
The InChIKey is NAODIOPFYBHGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O8/c1-17(2)19(27)31-7-9-33-21(29)25-12-23(5)11-24(6,13-25)15-26(14-23,16-25)22(30)34-10-8-32-20(28)18(3)4/h1,3,7-16H2,2,4-6H3.
What are the key properties of bis[2-(2-methylprop-2-enoyloxy)ethyl] 5,7-dimethyladamantane-1,3-dicarboxylate?
bis[2-(2-methylprop-2-enoyloxy)ethyl] 5,7-dimethyladamantane-1,3-dicarboxylate has a molecular weight of 476.57 g/mol, XLogP of 3.68, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-methylprop-2-enoyloxy)ethyl] 5,7-dimethyladamantane-1,3-dicarboxylate is sourced from PubChem (CID 70192127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).