ethane;[(3E,5Z)-2-methyl-4-(prop-2-enoyloxymethyl)hepta-3,5-dienyl] prop-2-enoate

C17H26O4 — CID 144799460

IUPACethane;[(3E,5Z)-2-methyl-4-(prop-2-enoyloxymethyl)hepta-3,5-dienyl] prop-2-enoate
SMILESC=CC(=O)OCC(/C=C\C)=C/C(C)COC(=O)C=C.CC
InChIInChI=1S/C15H20O4.C2H6/c1-5-8-13(11-19-15(17)7-3)9-12(4)10-18-14(16)6-2;1-2/h5-9,12H,2-3,10-11H2,1,4H3;1-2H3/b8-5-,13-9+;
InChIKeyGZAOWQLOMNBWED-DNPSILOFSA-N
MW294.39 g/mol
LogP3.61
Rot. Bonds8

About ethane;[(3E,5Z)-2-methyl-4-(prop-2-enoyloxymethyl)hepta-3,5-dienyl] prop-2-enoate

ethane;[(3E,5Z)-2-methyl-4-(prop-2-enoyloxymethyl)hepta-3,5-dienyl] prop-2-enoate (PubChem CID 144799460) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is ethane;[(3E,5Z)-2-methyl-4-(prop-2-enoyloxymethyl)hepta-3,5-dienyl] prop-2-enoate.

Molecular Properties

Compound Nameethane;[(3E,5Z)-2-methyl-4-(prop-2-enoyloxymethyl)hepta-3,5-dienyl] prop-2-enoate
PubChem CID144799460
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Nameethane;[(3E,5Z)-2-methyl-4-(prop-2-enoyloxymethyl)hepta-3,5-dienyl] prop-2-enoate
SMILESC=CC(=O)OCC(/C=C\C)=C/C(C)COC(=O)C=C.CC
InChIInChI=1S/C15H20O4.C2H6/c1-5-8-13(11-19-15(17)7-3)9-12(4)10-18-14(16)6-2;1-2/h5-9,12H,2-3,10-11H2,1,4H3;1-2H3/b8-5-,13-9+;
InChIKeyGZAOWQLOMNBWED-DNPSILOFSA-N
XLogP3.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethylpent-3-enyl prop-2-enoate
CID 174401913
[(E)-2-oxopent-3-enyl] prop-2-enoate
CID 141312744
2-prop-2-enoyloxypropyl (E)-but-2-enoate
CID 174502403
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
CID 139835678
2,3-dibromopropyl prop-2-enoate
CID 29728
(4-methyl-2-oxopentyl) prop-2-enoate
CID 58048888
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
2-[[(E)-but-2-enoyl]oxymethyl]but-3-enyl (E)-but-2-enoate
CID 59047487
2-prop-2-enylperoxypropyl prop-2-enoate
CID 89014347
(3-bromo-2-hydroxypropyl) prop-2-enoate
CID 54425888
2-chloropropyl prop-2-enoate;prop-2-enoic acid
CID 175785601
trimethyl(1-prop-2-enoyloxypropan-2-yl)azanium chloride
CID 87502467

Frequently Asked Questions

What is the IUPAC name of ethane;[(3E,5Z)-2-methyl-4-(prop-2-enoyloxymethyl)hepta-3,5-dienyl] prop-2-enoate?
The IUPAC name of ethane;[(3E,5Z)-2-methyl-4-(prop-2-enoyloxymethyl)hepta-3,5-dienyl] prop-2-enoate (CID 144799460) is ethane;[(3E,5Z)-2-methyl-4-(prop-2-enoyloxymethyl)hepta-3,5-dienyl] prop-2-enoate.
What is the SMILES notation for ethane;[(3E,5Z)-2-methyl-4-(prop-2-enoyloxymethyl)hepta-3,5-dienyl] prop-2-enoate?
The canonical SMILES for ethane;[(3E,5Z)-2-methyl-4-(prop-2-enoyloxymethyl)hepta-3,5-dienyl] prop-2-enoate is C=CC(=O)OCC(/C=C\C)=C/C(C)COC(=O)C=C.CC.
What is the InChIKey of ethane;[(3E,5Z)-2-methyl-4-(prop-2-enoyloxymethyl)hepta-3,5-dienyl] prop-2-enoate?
The InChIKey is GZAOWQLOMNBWED-DNPSILOFSA-N. The full InChI is InChI=1S/C15H20O4.C2H6/c1-5-8-13(11-19-15(17)7-3)9-12(4)10-18-14(16)6-2;1-2/h5-9,12H,2-3,10-11H2,1,4H3;1-2H3/b8-5-,13-9+;.
What are the key properties of ethane;[(3E,5Z)-2-methyl-4-(prop-2-enoyloxymethyl)hepta-3,5-dienyl] prop-2-enoate?
ethane;[(3E,5Z)-2-methyl-4-(prop-2-enoyloxymethyl)hepta-3,5-dienyl] prop-2-enoate has a molecular weight of 294.39 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(3E,5Z)-2-methyl-4-(prop-2-enoyloxymethyl)hepta-3,5-dienyl] prop-2-enoate is sourced from PubChem (CID 144799460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).