ethane-1,2-diol;[5-(2-methylprop-2-enoyloxy)-3,6-dioxoocta-1,7-dien-4-yl] 2-methylprop-2-enoate

C18H24O8 — CID 157071415

IUPACethane-1,2-diol;[5-(2-methylprop-2-enoyloxy)-3,6-dioxoocta-1,7-dien-4-yl] 2-methylprop-2-enoate
SMILESC=CC(=O)C(OC(=O)C(=C)C)C(OC(=O)C(=C)C)C(=O)C=C.OCCO
InChIInChI=1S/C16H18O6.C2H6O2/c1-7-11(17)13(21-15(19)9(3)4)14(12(18)8-2)22-16(20)10(5)6;3-1-2-4/h7-8,13-14H,1-3,5H2,4,6H3;3-4H,1-2H2
InChIKeyACMAXSUGSYVEMU-UHFFFAOYSA-N
MW368.38 g/mol
LogP0.44
Rot. Bonds10

About ethane-1,2-diol;[5-(2-methylprop-2-enoyloxy)-3,6-dioxoocta-1,7-dien-4-yl] 2-methylprop-2-enoate

ethane-1,2-diol;[5-(2-methylprop-2-enoyloxy)-3,6-dioxoocta-1,7-dien-4-yl] 2-methylprop-2-enoate (PubChem CID 157071415) has the molecular formula C18H24O8 and a molecular weight of 368.38 g/mol. Its IUPAC name is ethane-1,2-diol;[5-(2-methylprop-2-enoyloxy)-3,6-dioxoocta-1,7-dien-4-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethane-1,2-diol;[5-(2-methylprop-2-enoyloxy)-3,6-dioxoocta-1,7-dien-4-yl] 2-methylprop-2-enoate
PubChem CID157071415
Molecular FormulaC18H24O8
Molecular Weight368.38 g/mol
Exact Mass368.15
IUPAC Nameethane-1,2-diol;[5-(2-methylprop-2-enoyloxy)-3,6-dioxoocta-1,7-dien-4-yl] 2-methylprop-2-enoate
SMILESC=CC(=O)C(OC(=O)C(=C)C)C(OC(=O)C(=C)C)C(=O)C=C.OCCO
InChIInChI=1S/C16H18O6.C2H6O2/c1-7-11(17)13(21-15(19)9(3)4)14(12(18)8-2)22-16(20)10(5)6;3-1-2-4/h7-8,13-14H,1-3,5H2,4,6H3;3-4H,1-2H2
InChIKeyACMAXSUGSYVEMU-UHFFFAOYSA-N
XLogP0.44
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-Methylprop-2-enoyloxy)-3-oxopent-4-enoxy]-4-oxobutanoic acid
CID 139933244
Prop-2-enoyl 2-hydroxy-5-methyl-4-oxohex-5-enoate
CID 142740913
methyl 2-[(2Z)-2-[(3Z,5E,8S,9S,11Z,14S)-8,9-dihydroxy-3-(1-hydroxyprop-2-enylidene)-14-methyl-2,10-dioxo-1-oxacyclotetradeca-5,11-dien-4-ylidene]ethoxy]acetate
CID 143015464
[2-Hydroxy-5-methyl-3-(2-methylpropoxy)-4-oxohex-5-enyl] prop-2-enoate
CID 154362646
[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
2-Methoxyethanol;(2-methoxy-3-oxopent-4-enyl) 2-methylprop-2-enoate
CID 159788085
2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 159875860
2-(2-Hydroxypropoxy)propan-1-ol;(4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-en-2-yl) prop-2-enoate
CID 160980894
Magnesium;butanedioic acid;hydride;(2-hydroxy-3-oxopent-4-enyl) 2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propanoate
CID 174812330
bis(2-hydroxy-4-methyl-3-oxopent-4-enyl) (Z)-but-2-enedioate
CID 174843171
[5-(2-Methylprop-2-enoyloxy)-3,6-dioxoocta-1,7-dien-4-yl] 2-methylprop-2-enoate
CID 157071416
[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 ethane-1,2-diol;[5-(2-methylprop-2-enoyloxy)-3,6-dioxoocta-1,7-dien-4-yl] 2-methylprop-2-enoate?
The IUPAC name of ethane-1,2-diol;[5-(2-methylprop-2-enoyloxy)-3,6-dioxoocta-1,7-dien-4-yl] 2-methylprop-2-enoate (CID 157071415) is ethane-1,2-diol;[5-(2-methylprop-2-enoyloxy)-3,6-dioxoocta-1,7-dien-4-yl] 2-methylprop-2-enoate.
What is the SMILES notation for ethane-1,2-diol;[5-(2-methylprop-2-enoyloxy)-3,6-dioxoocta-1,7-dien-4-yl] 2-methylprop-2-enoate?
The canonical SMILES for ethane-1,2-diol;[5-(2-methylprop-2-enoyloxy)-3,6-dioxoocta-1,7-dien-4-yl] 2-methylprop-2-enoate is C=CC(=O)C(OC(=O)C(=C)C)C(OC(=O)C(=C)C)C(=O)C=C.OCCO.
What is the InChIKey of ethane-1,2-diol;[5-(2-methylprop-2-enoyloxy)-3,6-dioxoocta-1,7-dien-4-yl] 2-methylprop-2-enoate?
The InChIKey is ACMAXSUGSYVEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O6.C2H6O2/c1-7-11(17)13(21-15(19)9(3)4)14(12(18)8-2)22-16(20)10(5)6;3-1-2-4/h7-8,13-14H,1-3,5H2,4,6H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;[5-(2-methylprop-2-enoyloxy)-3,6-dioxoocta-1,7-dien-4-yl] 2-methylprop-2-enoate?
ethane-1,2-diol;[5-(2-methylprop-2-enoyloxy)-3,6-dioxoocta-1,7-dien-4-yl] 2-methylprop-2-enoate has a molecular weight of 368.38 g/mol, XLogP of 0.44, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;[5-(2-methylprop-2-enoyloxy)-3,6-dioxoocta-1,7-dien-4-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 157071415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).