(2,2-dimethyl-4-oxohex-5-enyl) prop-2-enoate;3-oxopent-4-enyl prop-2-enoate

C19H26O6 — CID 91280021

IUPAC(2,2-dimethyl-4-oxohex-5-enyl) prop-2-enoate;3-oxopent-4-enyl prop-2-enoate
SMILESC=CC(=O)CC(C)(C)COC(=O)C=C.C=CC(=O)CCOC(=O)C=C
InChIInChI=1S/C11H16O3.C8H10O3/c1-5-9(12)7-11(3,4)8-14-10(13)6-2;1-3-7(9)5-6-11-8(10)4-2/h5-6H,1-2,7-8H2,3-4H3;3-4H,1-2,5-6H2
InChIKeyXZTMUBXONGBBSU-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.75
Rot. Bonds11

About (2,2-dimethyl-4-oxohex-5-enyl) prop-2-enoate;3-oxopent-4-enyl prop-2-enoate

(2,2-dimethyl-4-oxohex-5-enyl) prop-2-enoate;3-oxopent-4-enyl prop-2-enoate (PubChem CID 91280021) has the molecular formula C19H26O6 and a molecular weight of 350.41 g/mol. Its IUPAC name is (2,2-dimethyl-4-oxohex-5-enyl) prop-2-enoate;3-oxopent-4-enyl prop-2-enoate.

Molecular Properties

Compound Name(2,2-dimethyl-4-oxohex-5-enyl) prop-2-enoate;3-oxopent-4-enyl prop-2-enoate
PubChem CID91280021
Molecular FormulaC19H26O6
Molecular Weight350.41 g/mol
Exact Mass350.17
IUPAC Name(2,2-dimethyl-4-oxohex-5-enyl) prop-2-enoate;3-oxopent-4-enyl prop-2-enoate
SMILESC=CC(=O)CC(C)(C)COC(=O)C=C.C=CC(=O)CCOC(=O)C=C
InChIInChI=1S/C11H16O3.C8H10O3/c1-5-9(12)7-11(3,4)8-14-10(13)6-2;1-3-7(9)5-6-11-8(10)4-2/h5-6H,1-2,7-8H2,3-4H3;3-4H,1-2,5-6H2
InChIKeyXZTMUBXONGBBSU-UHFFFAOYSA-N
XLogP2.75
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-Ethyl-7-methyl-7-(2-oxobut-3-enyl)-1,5-dioxocan-3-yl]methyl prop-2-enoate
CID 20645981
4-Prop-2-enoyloxybutyl 2,2-dimethyl-4-oxohex-5-enoate
CID 58319692
[2-Ethyl-4-oxo-2-(prop-2-enoyloxymethyl)hex-5-enyl] prop-2-enoate
CID 58664669
[3-Oxo-2,2-bis(prop-2-enoyloxymethyl)pent-4-enyl] prop-2-enoate
CID 58667460
[4-Oxo-2,2-bis(prop-2-enoyloxymethyl)hex-5-enyl] prop-2-enoate
CID 58769642
(2,2-Dimethyl-4-oxohex-5-enyl) prop-2-enoate
CID 58769644
3-[2-(4-Oxohex-5-enylperoxymethyl)-2-(3-prop-2-enoyloxypropoxymethyl)butoxy]propyl prop-2-enoate
CID 59372755
1-[2,2-Dimethyl-3-(2-methyl-4-oxohex-5-enoxy)propoxy]propan-2-yl prop-2-enoate
CID 59499819
2-[2,2-Dimethyl-3-(4-oxohex-5-enoxy)propoxy]ethyl prop-2-enoate
CID 88870433
[2-[(2,2-Dimethyl-4-oxohex-5-enoxy)methyl]-2-(hydroxymethyl)butyl] prop-2-enoate
CID 89325013
2,2-Bis(prop-2-enoyloxymethyl)butyl butanoate;4-oxohex-5-enyl butanoate
CID 91381358
Ethyl 4,4-dimethyl-2-methylidene-3-oxopentanoate
CID 117613232

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-4-oxohex-5-enyl) prop-2-enoate;3-oxopent-4-enyl prop-2-enoate?
The IUPAC name of (2,2-dimethyl-4-oxohex-5-enyl) prop-2-enoate;3-oxopent-4-enyl prop-2-enoate (CID 91280021) is (2,2-dimethyl-4-oxohex-5-enyl) prop-2-enoate;3-oxopent-4-enyl prop-2-enoate.
What is the SMILES notation for (2,2-dimethyl-4-oxohex-5-enyl) prop-2-enoate;3-oxopent-4-enyl prop-2-enoate?
The canonical SMILES for (2,2-dimethyl-4-oxohex-5-enyl) prop-2-enoate;3-oxopent-4-enyl prop-2-enoate is C=CC(=O)CC(C)(C)COC(=O)C=C.C=CC(=O)CCOC(=O)C=C.
What is the InChIKey of (2,2-dimethyl-4-oxohex-5-enyl) prop-2-enoate;3-oxopent-4-enyl prop-2-enoate?
The InChIKey is XZTMUBXONGBBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3.C8H10O3/c1-5-9(12)7-11(3,4)8-14-10(13)6-2;1-3-7(9)5-6-11-8(10)4-2/h5-6H,1-2,7-8H2,3-4H3;3-4H,1-2,5-6H2.
What are the key properties of (2,2-dimethyl-4-oxohex-5-enyl) prop-2-enoate;3-oxopent-4-enyl prop-2-enoate?
(2,2-dimethyl-4-oxohex-5-enyl) prop-2-enoate;3-oxopent-4-enyl prop-2-enoate has a molecular weight of 350.41 g/mol, XLogP of 2.75, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-4-oxohex-5-enyl) prop-2-enoate;3-oxopent-4-enyl prop-2-enoate is sourced from PubChem (CID 91280021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).