2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;4,5,6-trihydroxynona-1,8-diene-3,7-dione

C19H26O10 — CID 159883883

IUPAC2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;4,5,6-trihydroxynona-1,8-diene-3,7-dione
SMILESC=CC(=O)C(O)C(O)C(O)C(=O)C=C.C=CC(=O)OCCOCCOC(=O)C=C
InChIInChI=1S/C10H14O5.C9H12O5/c1-3-9(11)14-7-5-13-6-8-15-10(12)4-2;1-3-5(10)7(12)9(14)8(13)6(11)4-2/h3-4H,1-2,5-8H2;3-4,7-9,12-14H,1-2H2
InChIKeyNTWPNRISZQSTHO-UHFFFAOYSA-N
MW414.41 g/mol
LogP-0.96
Rot. Bonds14

About 2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;4,5,6-trihydroxynona-1,8-diene-3,7-dione

2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;4,5,6-trihydroxynona-1,8-diene-3,7-dione (PubChem CID 159883883) has the molecular formula C19H26O10 and a molecular weight of 414.41 g/mol. Its IUPAC name is 2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;4,5,6-trihydroxynona-1,8-diene-3,7-dione.

Molecular Properties

Compound Name2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;4,5,6-trihydroxynona-1,8-diene-3,7-dione
PubChem CID159883883
Molecular FormulaC19H26O10
Molecular Weight414.41 g/mol
Exact Mass414.15
IUPAC Name2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;4,5,6-trihydroxynona-1,8-diene-3,7-dione
SMILESC=CC(=O)C(O)C(O)C(O)C(=O)C=C.C=CC(=O)OCCOCCOC(=O)C=C
InChIInChI=1S/C10H14O5.C9H12O5/c1-3-9(11)14-7-5-13-6-8-15-10(12)4-2;1-3-5(10)7(12)9(14)8(13)6(11)4-2/h3-4H,1-2,5-8H2;3-4,7-9,12-14H,1-2H2
InChIKeyNTWPNRISZQSTHO-UHFFFAOYSA-N
XLogP-0.96
TPSA156.66 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(1,2-Dihydroxy-4-oxohex-5-en-3-yl) prop-2-enoate
CID 87214790
Bis(2,3-dihydroxy-4-oxohex-5-enyl) decanedioate
CID 154220899
[4-Hydroxy-6-(2-methylprop-2-enoyloxy)-3,7-dioxonona-1,8-dien-5-yl] 2-methylprop-2-enoate;propane-1,2,3-triol
CID 158214514
(5,6-Dihydroxy-3-oxohept-1-en-4-yl) prop-2-enoate
CID 174494167
Bis(2-hydroxy-3-oxopent-4-enyl) hexanedioate
CID 174821799
[4-Hydroxy-6-(2-methylprop-2-enoyloxy)-3,7-dioxonona-1,8-dien-5-yl] 2-methylprop-2-enoate
CID 158214515

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;4,5,6-trihydroxynona-1,8-diene-3,7-dione?
The IUPAC name of 2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;4,5,6-trihydroxynona-1,8-diene-3,7-dione (CID 159883883) is 2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;4,5,6-trihydroxynona-1,8-diene-3,7-dione.
What is the SMILES notation for 2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;4,5,6-trihydroxynona-1,8-diene-3,7-dione?
The canonical SMILES for 2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;4,5,6-trihydroxynona-1,8-diene-3,7-dione is C=CC(=O)C(O)C(O)C(O)C(=O)C=C.C=CC(=O)OCCOCCOC(=O)C=C.
What is the InChIKey of 2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;4,5,6-trihydroxynona-1,8-diene-3,7-dione?
The InChIKey is NTWPNRISZQSTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5.C9H12O5/c1-3-9(11)14-7-5-13-6-8-15-10(12)4-2;1-3-5(10)7(12)9(14)8(13)6(11)4-2/h3-4H,1-2,5-8H2;3-4,7-9,12-14H,1-2H2.
What are the key properties of 2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;4,5,6-trihydroxynona-1,8-diene-3,7-dione?
2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;4,5,6-trihydroxynona-1,8-diene-3,7-dione has a molecular weight of 414.41 g/mol, XLogP of -0.96, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;4,5,6-trihydroxynona-1,8-diene-3,7-dione is sourced from PubChem (CID 159883883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).