methyl 3,5-bis[(E)-3-methoxyprop-1-enyl]benzoate

C16H20O4 — CID 57456870

IUPACmethyl 3,5-bis[(E)-3-methoxyprop-1-enyl]benzoate
SMILESCOC/C=C/c1cc(/C=C/COC)cc(C(=O)OC)c1
InChIInChI=1S/C16H20O4/c1-18-8-4-6-13-10-14(7-5-9-19-2)12-15(11-13)16(17)20-3/h4-7,10-12H,8-9H2,1-3H3/b6-4+,7-5+
InChIKeyHZBDTGMJADSUCU-YDFGWWAZSA-N
MW276.33 g/mol
LogP2.79
Rot. Bonds7

About methyl 3,5-bis[(E)-3-methoxyprop-1-enyl]benzoate

methyl 3,5-bis[(E)-3-methoxyprop-1-enyl]benzoate (PubChem CID 57456870) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is methyl 3,5-bis[(E)-3-methoxyprop-1-enyl]benzoate.

Molecular Properties

Compound Namemethyl 3,5-bis[(E)-3-methoxyprop-1-enyl]benzoate
PubChem CID57456870
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Namemethyl 3,5-bis[(E)-3-methoxyprop-1-enyl]benzoate
SMILESCOC/C=C/c1cc(/C=C/COC)cc(C(=O)OC)c1
InChIInChI=1S/C16H20O4/c1-18-8-4-6-13-10-14(7-5-9-19-2)12-15(11-13)16(17)20-3/h4-7,10-12H,8-9H2,1-3H3/b6-4+,7-5+
InChIKeyHZBDTGMJADSUCU-YDFGWWAZSA-N
XLogP2.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(E)-3-methoxyprop-1-enyl]benzoate
CID 23294752
methyl 5-[(E)-3-methoxyprop-1-enyl]-2,3-dimethylbenzoate
CID 70497670
dimethyl 5-formylbenzene-1,3-dicarboxylate
CID 15183982
3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)benzoic acid
CID 69110649
methyl 3-[(E)-3-phenylmethoxyprop-1-enyl]benzoate
CID 125468649
methyl 5-(3-aminoprop-1-enyl)pyridine-3-carboxylate
CID 169463930
methyl 4-but-1-enylbenzoate
CID 69135322
methyl 3-(4-aminobut-1-enyl)benzoate
CID 170487184
methyl 3-(4-sulfanylbut-1-enyl)benzoate
CID 170478585
methyl 3-amino-5-(3-amino-3-oxoprop-1-enyl)benzoate
CID 169482349
3-(3-iodo-5-methoxycarbonylphenyl)prop-2-enoic acid
CID 54396928
methyl 5-(4-aminobut-1-enyl)pyridine-3-carboxylate
CID 170487339

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-bis[(E)-3-methoxyprop-1-enyl]benzoate?
The IUPAC name of methyl 3,5-bis[(E)-3-methoxyprop-1-enyl]benzoate (CID 57456870) is methyl 3,5-bis[(E)-3-methoxyprop-1-enyl]benzoate.
What is the SMILES notation for methyl 3,5-bis[(E)-3-methoxyprop-1-enyl]benzoate?
The canonical SMILES for methyl 3,5-bis[(E)-3-methoxyprop-1-enyl]benzoate is COC/C=C/c1cc(/C=C/COC)cc(C(=O)OC)c1.
What is the InChIKey of methyl 3,5-bis[(E)-3-methoxyprop-1-enyl]benzoate?
The InChIKey is HZBDTGMJADSUCU-YDFGWWAZSA-N. The full InChI is InChI=1S/C16H20O4/c1-18-8-4-6-13-10-14(7-5-9-19-2)12-15(11-13)16(17)20-3/h4-7,10-12H,8-9H2,1-3H3/b6-4+,7-5+.
What are the key properties of methyl 3,5-bis[(E)-3-methoxyprop-1-enyl]benzoate?
methyl 3,5-bis[(E)-3-methoxyprop-1-enyl]benzoate has a molecular weight of 276.33 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-bis[(E)-3-methoxyprop-1-enyl]benzoate is sourced from PubChem (CID 57456870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).