[1-[2-(4-methyl-3-oxopent-4-enoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate

C15H20O7 — CID 158277052

IUPAC[1-[2-(4-methyl-3-oxopent-4-enoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)CCOC(=O)COC(=O)C(C)OC(=O)C(=C)C
InChIInChI=1S/C15H20O7/c1-9(2)12(16)6-7-20-13(17)8-21-15(19)11(5)22-14(18)10(3)4/h11H,1,3,6-8H2,2,4-5H3
InChIKeyDYBUQKXOOPCNEP-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.12
Rot. Bonds9

About [1-[2-(4-methyl-3-oxopent-4-enoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate

[1-[2-(4-methyl-3-oxopent-4-enoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate (PubChem CID 158277052) has the molecular formula C15H20O7 and a molecular weight of 312.32 g/mol. Its IUPAC name is [1-[2-(4-methyl-3-oxopent-4-enoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-[2-(4-methyl-3-oxopent-4-enoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate
PubChem CID158277052
Molecular FormulaC15H20O7
Molecular Weight312.32 g/mol
Exact Mass312.12
IUPAC Name[1-[2-(4-methyl-3-oxopent-4-enoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)CCOC(=O)COC(=O)C(C)OC(=O)C(=C)C
InChIInChI=1S/C15H20O7/c1-9(2)12(16)6-7-20-13(17)8-21-15(19)11(5)22-14(18)10(3)4/h11H,1,3,6-8H2,2,4-5H3
InChIKeyDYBUQKXOOPCNEP-UHFFFAOYSA-N
XLogP1.12
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4-methyl-3-oxopent-4-enyl) 2-methylprop-2-enoate
CID 18739125
(1-butoxy-1-oxopropan-2-yl) 2-methylprop-2-enoate
CID 58027740
[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 58663419
(4-methyl-3-oxopent-4-enyl) butanoate
CID 170015933
ethene;[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 173091400
[1-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate
CID 58106035
(4-methyl-3-oxopent-4-enyl) carbamate
CID 137378458
5-O-[1-[2-(2-hydroxyethoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 1-O-(2-hydroxyethyl) pentanedioate
CID 58807583
[2-(ethoxymethoxy)-2-oxoethyl] 2-(2-oxopropanoyloxy)propanoate
CID 161302430
2-[2-(2-hydroxypropanoyloxy)propanoyloxy]ethyl 2-methylprop-2-enoate
CID 59305982
methane;[1-[3-methoxy-2,2-bis(methoxymethyl)propoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate
CID 158649110
2-[2-[2-(2-hydroxyacetyl)oxyacetyl]oxyacetyl]oxyethyl 2-methylprop-2-enoate
CID 58165702

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methyl-3-oxopent-4-enoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [1-[2-(4-methyl-3-oxopent-4-enoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate (CID 158277052) is [1-[2-(4-methyl-3-oxopent-4-enoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-[2-(4-methyl-3-oxopent-4-enoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1-[2-(4-methyl-3-oxopent-4-enoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)CCOC(=O)COC(=O)C(C)OC(=O)C(=C)C.
What is the InChIKey of [1-[2-(4-methyl-3-oxopent-4-enoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate?
The InChIKey is DYBUQKXOOPCNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O7/c1-9(2)12(16)6-7-20-13(17)8-21-15(19)11(5)22-14(18)10(3)4/h11H,1,3,6-8H2,2,4-5H3.
What are the key properties of [1-[2-(4-methyl-3-oxopent-4-enoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate?
[1-[2-(4-methyl-3-oxopent-4-enoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate has a molecular weight of 312.32 g/mol, XLogP of 1.12, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methyl-3-oxopent-4-enoxy)-2-oxoethoxy]-1-oxopropan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 158277052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).