methyl (2E,4Z)-6-(methoxymethoxy)-4-(phenylmethoxymethyl)hexa-2,4-dienoate

C17H22O5 — CID 11808935

IUPACmethyl (2E,4Z)-6-(methoxymethoxy)-4-(phenylmethoxymethyl)hexa-2,4-dienoate
SMILESCOCOC/C=C(/C=C/C(=O)OC)COCc1ccccc1
InChIInChI=1S/C17H22O5/c1-19-14-21-11-10-16(8-9-17(18)20-2)13-22-12-15-6-4-3-5-7-15/h3-10H,11-14H2,1-2H3/b9-8+,16-10-
InChIKeyHZTAYOWWDZMLEK-GMCRPGLXSA-N
MW306.36 g/mol
LogP2.48
Rot. Bonds10

About methyl (2E,4Z)-6-(methoxymethoxy)-4-(phenylmethoxymethyl)hexa-2,4-dienoate

methyl (2E,4Z)-6-(methoxymethoxy)-4-(phenylmethoxymethyl)hexa-2,4-dienoate (PubChem CID 11808935) has the molecular formula C17H22O5 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl (2E,4Z)-6-(methoxymethoxy)-4-(phenylmethoxymethyl)hexa-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4Z)-6-(methoxymethoxy)-4-(phenylmethoxymethyl)hexa-2,4-dienoate
PubChem CID11808935
Molecular FormulaC17H22O5
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC Namemethyl (2E,4Z)-6-(methoxymethoxy)-4-(phenylmethoxymethyl)hexa-2,4-dienoate
SMILESCOCOC/C=C(/C=C/C(=O)OC)COCc1ccccc1
InChIInChI=1S/C17H22O5/c1-19-14-21-11-10-16(8-9-17(18)20-2)13-22-12-15-6-4-3-5-7-15/h3-10H,11-14H2,1-2H3/b9-8+,16-10-
InChIKeyHZTAYOWWDZMLEK-GMCRPGLXSA-N
XLogP2.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (2E,4Z)-4-(hydroxymethyl)-6-phenylmethoxyhexa-2,4-dienoate
CID 11097355
[(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene
CID 11572215
methyl 3-oxo-4-phenylmethoxybutanoate
CID 12768799
methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate
CID 10827220
methyl (Z,4R)-4-phenylmethoxypent-2-enoate
CID 10082195
methyl (E)-3-(dibenzylamino)prop-2-enoate
CID 5382919
[4-phenylmethoxy-3-(phenylmethoxymethyl)but-2-enyl] acetate
CID 15450715
4-O-[[4-[[(Z)-4-methoxy-4-oxobut-2-enoyl]oxymethyl]phenyl]methyl] 1-O-methyl (Z)-but-2-enedioate
CID 102439489
[(E)-3-methylpent-2-enoxy]methylbenzene
CID 12622244
methyl (E,4R)-4-methylsulfonyloxy-6-phenylmethoxyhex-2-enoate
CID 10449166
methyl (E,4S,5S,6S)-4,5-dihydroxy-6-methyl-7-phenylmethoxyhept-2-enoate
CID 72723656
(E)-3-iodo-5-phenylmethoxypent-3-enoic acid
CID 134967985

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4Z)-6-(methoxymethoxy)-4-(phenylmethoxymethyl)hexa-2,4-dienoate?
The IUPAC name of methyl (2E,4Z)-6-(methoxymethoxy)-4-(phenylmethoxymethyl)hexa-2,4-dienoate (CID 11808935) is methyl (2E,4Z)-6-(methoxymethoxy)-4-(phenylmethoxymethyl)hexa-2,4-dienoate.
What is the SMILES notation for methyl (2E,4Z)-6-(methoxymethoxy)-4-(phenylmethoxymethyl)hexa-2,4-dienoate?
The canonical SMILES for methyl (2E,4Z)-6-(methoxymethoxy)-4-(phenylmethoxymethyl)hexa-2,4-dienoate is COCOC/C=C(/C=C/C(=O)OC)COCc1ccccc1.
What is the InChIKey of methyl (2E,4Z)-6-(methoxymethoxy)-4-(phenylmethoxymethyl)hexa-2,4-dienoate?
The InChIKey is HZTAYOWWDZMLEK-GMCRPGLXSA-N. The full InChI is InChI=1S/C17H22O5/c1-19-14-21-11-10-16(8-9-17(18)20-2)13-22-12-15-6-4-3-5-7-15/h3-10H,11-14H2,1-2H3/b9-8+,16-10-.
What are the key properties of methyl (2E,4Z)-6-(methoxymethoxy)-4-(phenylmethoxymethyl)hexa-2,4-dienoate?
methyl (2E,4Z)-6-(methoxymethoxy)-4-(phenylmethoxymethyl)hexa-2,4-dienoate has a molecular weight of 306.36 g/mol, XLogP of 2.48, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4Z)-6-(methoxymethoxy)-4-(phenylmethoxymethyl)hexa-2,4-dienoate is sourced from PubChem (CID 11808935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).