4-methoxybutyl 2-methylprop-2-enoate;4-methoxybutyl prop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate;6-methoxyhex-1-en-3-one;6-methoxy-2-methylhex-1-en-3-one;1-methoxypropan-2-yl 2-methylprop-2-enoate;1-methoxypropan-2-yl prop-2-enoate;2-methoxypropyl 2-methylprop-2-enoate;3-methoxypropyl 2-methylprop-2-enoate;2-methoxypropyl prop-2-enoate;3-methoxypropyl prop-2-enoate

C90H156O34 — CID 158397710

IUPAC4-methoxybutyl 2-methylprop-2-enoate;4-methoxybutyl prop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate;6-methoxyhex-1-en-3-one;6-methoxy-2-methylhex-1-en-3-one;1-methoxypropan-2-yl 2-methylprop-2-enoate;1-methoxypropan-2-yl prop-2-enoate;2-methoxypropyl 2-methylprop-2-enoate;3-methoxypropyl 2-methylprop-2-enoate;2-methoxypropyl prop-2-enoate;3-methoxypropyl prop-2-enoate
SMILESC=C(C)C(=O)CCCOC.C=C(C)C(=O)OC(C)COC.C=C(C)C(=O)OCC(C)OC.C=C(C)C(=O)OCCCCOC.C=C(C)C(=O)OCCCOC.C=C(C)C(=O)OCCOC.C=CC(=O)CCCOC.C=CC(=O)OC(C)COC.C=CC(=O)OCC(C)OC.C=CC(=O)OCCCCOC.C=CC(=O)OCCCOC.C=CC(=O)OCCOC
InChIInChI=1S/C9H16O3.4C8H14O3.C8H14O2.4C7H12O3.C7H12O2.C6H10O3/c1-8(2)9(10)12-7-5-4-6-11-3;1-6(2)8(9)11-5-7(3)10-4;1-6(2)8(9)11-7(3)5-10-4;1-7(2)8(9)11-6-4-5-10-3;1-3-8(9)11-7-5-4-6-10-2;1-7(2)8(9)5-4-6-10-3;1-6(2)7(8)10-5-4-9-3;1-4-7(8)10-5-6(2)9-3;1-4-7(8)10-6(2)5-9-3;1-3-7(8)10-6-4-5-9-2;1-3-7(8)5-4-6-9-2;1-3-6(7)9-5-4-8-2/h1,4-7H2,2-3H3;2*7H,1,5H2,2-4H3;1,4-6H2,2-3H3;3H,1,4-7H2,2H3;1,4-6H2,2-3H3;1,4-5H2,2-3H3;2*4,6H,1,5H2,2-3H3;3H,1,4-6H2,2H3;3H,1,4-6H2,2H3;3H,1,4-5H2,2H3
InChIKeyGXSGXZLBQXUNAL-UHFFFAOYSA-N
MW1782.20 g/mol
LogP12.19
Rot. Bonds56

About 4-methoxybutyl 2-methylprop-2-enoate;4-methoxybutyl prop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate;6-methoxyhex-1-en-3-one;6-methoxy-2-methylhex-1-en-3-one;1-methoxypropan-2-yl 2-methylprop-2-enoate;1-methoxypropan-2-yl prop-2-enoate;2-methoxypropyl 2-methylprop-2-enoate;3-methoxypropyl 2-methylprop-2-enoate;2-methoxypropyl prop-2-enoate;3-methoxypropyl prop-2-enoate

4-methoxybutyl 2-methylprop-2-enoate;4-methoxybutyl prop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate;6-methoxyhex-1-en-3-one;6-methoxy-2-methylhex-1-en-3-one;1-methoxypropan-2-yl 2-methylprop-2-enoate;1-methoxypropan-2-yl prop-2-enoate;2-methoxypropyl 2-methylprop-2-enoate;3-methoxypropyl 2-methylprop-2-enoate;2-methoxypropyl prop-2-enoate;3-methoxypropyl prop-2-enoate (PubChem CID 158397710) has the molecular formula C90H156O34 and a molecular weight of 1782.20 g/mol. Its IUPAC name is 4-methoxybutyl 2-methylprop-2-enoate;4-methoxybutyl prop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate;6-methoxyhex-1-en-3-one;6-methoxy-2-methylhex-1-en-3-one;1-methoxypropan-2-yl 2-methylprop-2-enoate;1-methoxypropan-2-yl prop-2-enoate;2-methoxypropyl 2-methylprop-2-enoate;3-methoxypropyl 2-methylprop-2-enoate;2-methoxypropyl prop-2-enoate;3-methoxypropyl prop-2-enoate.

Molecular Properties

Compound Name4-methoxybutyl 2-methylprop-2-enoate;4-methoxybutyl prop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate;6-methoxyhex-1-en-3-one;6-methoxy-2-methylhex-1-en-3-one;1-methoxypropan-2-yl 2-methylprop-2-enoate;1-methoxypropan-2-yl prop-2-enoate;2-methoxypropyl 2-methylprop-2-enoate;3-methoxypropyl 2-methylprop-2-enoate;2-methoxypropyl prop-2-enoate;3-methoxypropyl prop-2-enoate
PubChem CID158397710
Molecular FormulaC90H156O34
Molecular Weight1782.20 g/mol
Exact Mass1781.05
IUPAC Name4-methoxybutyl 2-methylprop-2-enoate;4-methoxybutyl prop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate;6-methoxyhex-1-en-3-one;6-methoxy-2-methylhex-1-en-3-one;1-methoxypropan-2-yl 2-methylprop-2-enoate;1-methoxypropan-2-yl prop-2-enoate;2-methoxypropyl 2-methylprop-2-enoate;3-methoxypropyl 2-methylprop-2-enoate;2-methoxypropyl prop-2-enoate;3-methoxypropyl prop-2-enoate
SMILESC=C(C)C(=O)CCCOC.C=C(C)C(=O)OC(C)COC.C=C(C)C(=O)OCC(C)OC.C=C(C)C(=O)OCCCCOC.C=C(C)C(=O)OCCCOC.C=C(C)C(=O)OCCOC.C=CC(=O)CCCOC.C=CC(=O)OC(C)COC.C=CC(=O)OCC(C)OC.C=CC(=O)OCCCCOC.C=CC(=O)OCCCOC.C=CC(=O)OCCOC
InChIInChI=1S/C9H16O3.4C8H14O3.C8H14O2.4C7H12O3.C7H12O2.C6H10O3/c1-8(2)9(10)12-7-5-4-6-11-3;1-6(2)8(9)11-5-7(3)10-4;1-6(2)8(9)11-7(3)5-10-4;1-7(2)8(9)11-6-4-5-10-3;1-3-8(9)11-7-5-4-6-10-2;1-7(2)8(9)5-4-6-10-3;1-6(2)7(8)10-5-4-9-3;1-4-7(8)10-5-6(2)9-3;1-4-7(8)10-6(2)5-9-3;1-3-7(8)10-6-4-5-9-2;1-3-7(8)5-4-6-9-2;1-3-6(7)9-5-4-8-2/h1,4-7H2,2-3H3;2*7H,1,5H2,2-4H3;1,4-6H2,2-3H3;3H,1,4-7H2,2H3;1,4-6H2,2-3H3;1,4-5H2,2-3H3;2*4,6H,1,5H2,2-3H3;3H,1,4-6H2,2H3;3H,1,4-6H2,2H3;3H,1,4-5H2,2H3
InChIKeyGXSGXZLBQXUNAL-UHFFFAOYSA-N
XLogP12.19
TPSA407.90 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds56
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001782.20
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

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 4-methoxybutyl 2-methylprop-2-enoate;4-methoxybutyl prop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate;6-methoxyhex-1-en-3-one;6-methoxy-2-methylhex-1-en-3-one;1-methoxypropan-2-yl 2-methylprop-2-enoate;1-methoxypropan-2-yl prop-2-enoate;2-methoxypropyl 2-methylprop-2-enoate;3-methoxypropyl 2-methylprop-2-enoate;2-methoxypropyl prop-2-enoate;3-methoxypropyl prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methoxybutyl 2-methylprop-2-enoate;4-methoxybutyl prop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate;6-methoxyhex-1-en-3-one;6-methoxy-2-methylhex-1-en-3-one;1-methoxypropan-2-yl 2-methylprop-2-enoate;1-methoxypropan-2-yl prop-2-enoate;2-methoxypropyl 2-methylprop-2-enoate;3-methoxypropyl 2-methylprop-2-enoate;2-methoxypropyl prop-2-enoate;3-methoxypropyl prop-2-enoate?
The IUPAC name of 4-methoxybutyl 2-methylprop-2-enoate;4-methoxybutyl prop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate;6-methoxyhex-1-en-3-one;6-methoxy-2-methylhex-1-en-3-one;1-methoxypropan-2-yl 2-methylprop-2-enoate;1-methoxypropan-2-yl prop-2-enoate;2-methoxypropyl 2-methylprop-2-enoate;3-methoxypropyl 2-methylprop-2-enoate;2-methoxypropyl prop-2-enoate;3-methoxypropyl prop-2-enoate (CID 158397710) is 4-methoxybutyl 2-methylprop-2-enoate;4-methoxybutyl prop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate;6-methoxyhex-1-en-3-one;6-methoxy-2-methylhex-1-en-3-one;1-methoxypropan-2-yl 2-methylprop-2-enoate;1-methoxypropan-2-yl prop-2-enoate;2-methoxypropyl 2-methylprop-2-enoate;3-methoxypropyl 2-methylprop-2-enoate;2-methoxypropyl prop-2-enoate;3-methoxypropyl prop-2-enoate.
What is the SMILES notation for 4-methoxybutyl 2-methylprop-2-enoate;4-methoxybutyl prop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate;6-methoxyhex-1-en-3-one;6-methoxy-2-methylhex-1-en-3-one;1-methoxypropan-2-yl 2-methylprop-2-enoate;1-methoxypropan-2-yl prop-2-enoate;2-methoxypropyl 2-methylprop-2-enoate;3-methoxypropyl 2-methylprop-2-enoate;2-methoxypropyl prop-2-enoate;3-methoxypropyl prop-2-enoate?
The canonical SMILES for 4-methoxybutyl 2-methylprop-2-enoate;4-methoxybutyl prop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate;6-methoxyhex-1-en-3-one;6-methoxy-2-methylhex-1-en-3-one;1-methoxypropan-2-yl 2-methylprop-2-enoate;1-methoxypropan-2-yl prop-2-enoate;2-methoxypropyl 2-methylprop-2-enoate;3-methoxypropyl 2-methylprop-2-enoate;2-methoxypropyl prop-2-enoate;3-methoxypropyl prop-2-enoate is C=C(C)C(=O)CCCOC.C=C(C)C(=O)OC(C)COC.C=C(C)C(=O)OCC(C)OC.C=C(C)C(=O)OCCCCOC.C=C(C)C(=O)OCCCOC.C=C(C)C(=O)OCCOC.C=CC(=O)CCCOC.C=CC(=O)OC(C)COC.C=CC(=O)OCC(C)OC.C=CC(=O)OCCCCOC.C=CC(=O)OCCCOC.C=CC(=O)OCCOC.
What is the InChIKey of 4-methoxybutyl 2-methylprop-2-enoate;4-methoxybutyl prop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate;6-methoxyhex-1-en-3-one;6-methoxy-2-methylhex-1-en-3-one;1-methoxypropan-2-yl 2-methylprop-2-enoate;1-methoxypropan-2-yl prop-2-enoate;2-methoxypropyl 2-methylprop-2-enoate;3-methoxypropyl 2-methylprop-2-enoate;2-methoxypropyl prop-2-enoate;3-methoxypropyl prop-2-enoate?
The InChIKey is GXSGXZLBQXUNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3.4C8H14O3.C8H14O2.4C7H12O3.C7H12O2.C6H10O3/c1-8(2)9(10)12-7-5-4-6-11-3;1-6(2)8(9)11-5-7(3)10-4;1-6(2)8(9)11-7(3)5-10-4;1-7(2)8(9)11-6-4-5-10-3;1-3-8(9)11-7-5-4-6-10-2;1-7(2)8(9)5-4-6-10-3;1-6(2)7(8)10-5-4-9-3;1-4-7(8)10-5-6(2)9-3;1-4-7(8)10-6(2)5-9-3;1-3-7(8)10-6-4-5-9-2;1-3-7(8)5-4-6-9-2;1-3-6(7)9-5-4-8-2/h1,4-7H2,2-3H3;2*7H,1,5H2,2-4H3;1,4-6H2,2-3H3;3H,1,4-7H2,2H3;1,4-6H2,2-3H3;1,4-5H2,2-3H3;2*4,6H,1,5H2,2-3H3;3H,1,4-6H2,2H3;3H,1,4-6H2,2H3;3H,1,4-5H2,2H3.
What are the key properties of 4-methoxybutyl 2-methylprop-2-enoate;4-methoxybutyl prop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate;6-methoxyhex-1-en-3-one;6-methoxy-2-methylhex-1-en-3-one;1-methoxypropan-2-yl 2-methylprop-2-enoate;1-methoxypropan-2-yl prop-2-enoate;2-methoxypropyl 2-methylprop-2-enoate;3-methoxypropyl 2-methylprop-2-enoate;2-methoxypropyl prop-2-enoate;3-methoxypropyl prop-2-enoate?
4-methoxybutyl 2-methylprop-2-enoate;4-methoxybutyl prop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate;6-methoxyhex-1-en-3-one;6-methoxy-2-methylhex-1-en-3-one;1-methoxypropan-2-yl 2-methylprop-2-enoate;1-methoxypropan-2-yl prop-2-enoate;2-methoxypropyl 2-methylprop-2-enoate;3-methoxypropyl 2-methylprop-2-enoate;2-methoxypropyl prop-2-enoate;3-methoxypropyl prop-2-enoate has a molecular weight of 1782.20 g/mol, XLogP of 12.19, 56 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybutyl 2-methylprop-2-enoate;4-methoxybutyl prop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate;6-methoxyhex-1-en-3-one;6-methoxy-2-methylhex-1-en-3-one;1-methoxypropan-2-yl 2-methylprop-2-enoate;1-methoxypropan-2-yl prop-2-enoate;2-methoxypropyl 2-methylprop-2-enoate;3-methoxypropyl 2-methylprop-2-enoate;2-methoxypropyl prop-2-enoate;3-methoxypropyl prop-2-enoate is sourced from PubChem (CID 158397710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).