2-O-methyl 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 3,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-1,2-dicarboxylate

C19H24O6 — CID 90906820

IUPAC2-O-methyl 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 3,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-1,2-dicarboxylate
SMILESC=C(C)C(=O)OCCOC(=O)C12C(C)=C(C)C1(C)C(C)=C2C(=O)OC
InChIInChI=1S/C19H24O6/c1-10(2)15(20)24-8-9-25-17(22)19-12(4)11(3)18(19,6)13(5)14(19)16(21)23-7/h1,8-9H2,2-7H3
InChIKeyHBMAYXJAVJZDMV-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.49
Rot. Bonds6

About 2-O-methyl 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 3,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-1,2-dicarboxylate

2-O-methyl 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 3,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-1,2-dicarboxylate (PubChem CID 90906820) has the molecular formula C19H24O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-O-methyl 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 3,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-methyl 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 3,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-1,2-dicarboxylate
PubChem CID90906820
Molecular FormulaC19H24O6
Molecular Weight348.40 g/mol
Exact Mass348.16
IUPAC Name2-O-methyl 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 3,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-1,2-dicarboxylate
SMILESC=C(C)C(=O)OCCOC(=O)C12C(C)=C(C)C1(C)C(C)=C2C(=O)OC
InChIInChI=1S/C19H24O6/c1-10(2)15(20)24-8-9-25-17(22)19-12(4)11(3)18(19,6)13(5)14(19)16(21)23-7/h1,8-9H2,2-7H3
InChIKeyHBMAYXJAVJZDMV-UHFFFAOYSA-N
XLogP2.49
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-O-methyl 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 3,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-1,2-dicarboxylate with MolForge

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Related Compounds

methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
(1,3,4,5,6-pentamethyl-2-bicyclo[2.2.0]hexa-2,5-dienyl)methyl 2-methylprop-2-enoate
CID 21020518
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-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
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
bis[2-(2-methylprop-2-enoyloxy)ethyl] 5,7-dimethyladamantane-1,3-dicarboxylate
CID 70192127
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-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190

Frequently Asked Questions

What is the IUPAC name of 2-O-methyl 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 3,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-1,2-dicarboxylate?
The IUPAC name of 2-O-methyl 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 3,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-1,2-dicarboxylate (CID 90906820) is 2-O-methyl 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 3,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-1,2-dicarboxylate.
What is the SMILES notation for 2-O-methyl 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 3,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-1,2-dicarboxylate?
The canonical SMILES for 2-O-methyl 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 3,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-1,2-dicarboxylate is C=C(C)C(=O)OCCOC(=O)C12C(C)=C(C)C1(C)C(C)=C2C(=O)OC.
What is the InChIKey of 2-O-methyl 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 3,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-1,2-dicarboxylate?
The InChIKey is HBMAYXJAVJZDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O6/c1-10(2)15(20)24-8-9-25-17(22)19-12(4)11(3)18(19,6)13(5)14(19)16(21)23-7/h1,8-9H2,2-7H3.
What are the key properties of 2-O-methyl 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 3,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-1,2-dicarboxylate?
2-O-methyl 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 3,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-1,2-dicarboxylate has a molecular weight of 348.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-methyl 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 3,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-1,2-dicarboxylate is sourced from PubChem (CID 90906820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).