[3,4-dimethyl-4-[2-[4-methyl-3-(2-methylprop-2-enoyloxy)-5-oxo-3-propan-2-yloxolan-2-yl]ethyl]-5-oxooxolan-3-yl] 2-methylprop-2-enoate

C24H34O8 — CID 129013107

IUPAC[3,4-dimethyl-4-[2-[4-methyl-3-(2-methylprop-2-enoyloxy)-5-oxo-3-propan-2-yloxolan-2-yl]ethyl]-5-oxooxolan-3-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(C)C)C(CCC2(C)C(=O)OCC2(C)OC(=O)C(=C)C)OC(=O)C1C
InChIInChI=1S/C24H34O8/c1-13(2)18(25)31-23(9)12-29-21(28)22(23,8)11-10-17-24(15(5)6,16(7)20(27)30-17)32-19(26)14(3)4/h15-17H,1,3,10-12H2,2,4-9H3
InChIKeyMHBDHVDBEKALKC-UHFFFAOYSA-N
MW450.53 g/mol
LogP3.28
Rot. Bonds8

About [3,4-dimethyl-4-[2-[4-methyl-3-(2-methylprop-2-enoyloxy)-5-oxo-3-propan-2-yloxolan-2-yl]ethyl]-5-oxooxolan-3-yl] 2-methylprop-2-enoate

[3,4-dimethyl-4-[2-[4-methyl-3-(2-methylprop-2-enoyloxy)-5-oxo-3-propan-2-yloxolan-2-yl]ethyl]-5-oxooxolan-3-yl] 2-methylprop-2-enoate (PubChem CID 129013107) has the molecular formula C24H34O8 and a molecular weight of 450.53 g/mol. Its IUPAC name is [3,4-dimethyl-4-[2-[4-methyl-3-(2-methylprop-2-enoyloxy)-5-oxo-3-propan-2-yloxolan-2-yl]ethyl]-5-oxooxolan-3-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3,4-dimethyl-4-[2-[4-methyl-3-(2-methylprop-2-enoyloxy)-5-oxo-3-propan-2-yloxolan-2-yl]ethyl]-5-oxooxolan-3-yl] 2-methylprop-2-enoate
PubChem CID129013107
Molecular FormulaC24H34O8
Molecular Weight450.53 g/mol
Exact Mass450.23
IUPAC Name[3,4-dimethyl-4-[2-[4-methyl-3-(2-methylprop-2-enoyloxy)-5-oxo-3-propan-2-yloxolan-2-yl]ethyl]-5-oxooxolan-3-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(C)C)C(CCC2(C)C(=O)OCC2(C)OC(=O)C(=C)C)OC(=O)C1C
InChIInChI=1S/C24H34O8/c1-13(2)18(25)31-23(9)12-29-21(28)22(23,8)11-10-17-24(15(5)6,16(7)20(27)30-17)32-19(26)14(3)4/h15-17H,1,3,10-12H2,2,4-9H3
InChIKeyMHBDHVDBEKALKC-UHFFFAOYSA-N
XLogP3.28
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [3,4-dimethyl-4-[2-[4-methyl-3-(2-methylprop-2-enoyloxy)-5-oxo-3-propan-2-yloxolan-2-yl]ethyl]-5-oxooxolan-3-yl] 2-methylprop-2-enoate with MolForge

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Related Compounds

(2,4-dimethyl-5-oxo-3-propan-2-yloxolan-3-yl) 2-methylprop-2-enoate
CID 90337386
[(3S,4S)-3,4-dimethyl-5-oxooxolan-3-yl] 2-methylprop-2-enoate
CID 118501645
(3-methyl-2-oxo-3,4,5,6,7,7a-hexahydro-1-benzofuran-3a-yl) 2-methylprop-2-enoate
CID 118504396
(2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate
CID 150411058
(2,3-diethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 90337387
propan-2-yl 3-(2-methylprop-2-enoyloxy)-2-oxooxolane-3-carboxylate
CID 141024126
(1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate
CID 164546927
[4-(iodomethyl)-1,2,2,3,3-pentamethylcyclopentyl] 2-methylprop-2-enoate
CID 88975949
1-[(3R)-3-methyl-2-oxooxolan-3-yl]ethyl 2-methylprop-2-enoate
CID 166649248
1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate
CID 132519026
[2-oxo-3-(trifluoromethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-3-yl] 2-methylprop-2-enoate
CID 59711388
[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
CID 140677617

Frequently Asked Questions

What is the IUPAC name of [3,4-dimethyl-4-[2-[4-methyl-3-(2-methylprop-2-enoyloxy)-5-oxo-3-propan-2-yloxolan-2-yl]ethyl]-5-oxooxolan-3-yl] 2-methylprop-2-enoate?
The IUPAC name of [3,4-dimethyl-4-[2-[4-methyl-3-(2-methylprop-2-enoyloxy)-5-oxo-3-propan-2-yloxolan-2-yl]ethyl]-5-oxooxolan-3-yl] 2-methylprop-2-enoate (CID 129013107) is [3,4-dimethyl-4-[2-[4-methyl-3-(2-methylprop-2-enoyloxy)-5-oxo-3-propan-2-yloxolan-2-yl]ethyl]-5-oxooxolan-3-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [3,4-dimethyl-4-[2-[4-methyl-3-(2-methylprop-2-enoyloxy)-5-oxo-3-propan-2-yloxolan-2-yl]ethyl]-5-oxooxolan-3-yl] 2-methylprop-2-enoate?
The canonical SMILES for [3,4-dimethyl-4-[2-[4-methyl-3-(2-methylprop-2-enoyloxy)-5-oxo-3-propan-2-yloxolan-2-yl]ethyl]-5-oxooxolan-3-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C(C)C)C(CCC2(C)C(=O)OCC2(C)OC(=O)C(=C)C)OC(=O)C1C.
What is the InChIKey of [3,4-dimethyl-4-[2-[4-methyl-3-(2-methylprop-2-enoyloxy)-5-oxo-3-propan-2-yloxolan-2-yl]ethyl]-5-oxooxolan-3-yl] 2-methylprop-2-enoate?
The InChIKey is MHBDHVDBEKALKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O8/c1-13(2)18(25)31-23(9)12-29-21(28)22(23,8)11-10-17-24(15(5)6,16(7)20(27)30-17)32-19(26)14(3)4/h15-17H,1,3,10-12H2,2,4-9H3.
What are the key properties of [3,4-dimethyl-4-[2-[4-methyl-3-(2-methylprop-2-enoyloxy)-5-oxo-3-propan-2-yloxolan-2-yl]ethyl]-5-oxooxolan-3-yl] 2-methylprop-2-enoate?
[3,4-dimethyl-4-[2-[4-methyl-3-(2-methylprop-2-enoyloxy)-5-oxo-3-propan-2-yloxolan-2-yl]ethyl]-5-oxooxolan-3-yl] 2-methylprop-2-enoate has a molecular weight of 450.53 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dimethyl-4-[2-[4-methyl-3-(2-methylprop-2-enoyloxy)-5-oxo-3-propan-2-yloxolan-2-yl]ethyl]-5-oxooxolan-3-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 129013107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).