[(4E)-6-ethoxyhepta-4,6-dien-3-yl] 2-[(4-methoxyphenyl)methoxy]acetate

C19H26O5 — CID 101072466

IUPAC[(4E)-6-ethoxyhepta-4,6-dien-3-yl] 2-[(4-methoxyphenyl)methoxy]acetate
SMILESC=C(/C=C/C(CC)OC(=O)COCc1ccc(OC)cc1)OCC
InChIInChI=1S/C19H26O5/c1-5-17(10-7-15(3)23-6-2)24-19(20)14-22-13-16-8-11-18(21-4)12-9-16/h7-12,17H,3,5-6,13-14H2,1-2,4H3/b10-7+
InChIKeyMHJSCWKJOMZTOV-JXMROGBWSA-N
MW334.41 g/mol
LogP3.64
Rot. Bonds11

About [(4E)-6-ethoxyhepta-4,6-dien-3-yl] 2-[(4-methoxyphenyl)methoxy]acetate

[(4E)-6-ethoxyhepta-4,6-dien-3-yl] 2-[(4-methoxyphenyl)methoxy]acetate (PubChem CID 101072466) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is [(4E)-6-ethoxyhepta-4,6-dien-3-yl] 2-[(4-methoxyphenyl)methoxy]acetate.

Molecular Properties

Compound Name[(4E)-6-ethoxyhepta-4,6-dien-3-yl] 2-[(4-methoxyphenyl)methoxy]acetate
PubChem CID101072466
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Name[(4E)-6-ethoxyhepta-4,6-dien-3-yl] 2-[(4-methoxyphenyl)methoxy]acetate
SMILESC=C(/C=C/C(CC)OC(=O)COCc1ccc(OC)cc1)OCC
InChIInChI=1S/C19H26O5/c1-5-17(10-7-15(3)23-6-2)24-19(20)14-22-13-16-8-11-18(21-4)12-9-16/h7-12,17H,3,5-6,13-14H2,1-2,4H3/b10-7+
InChIKeyMHJSCWKJOMZTOV-JXMROGBWSA-N
XLogP3.64
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-one
CID 10244454
ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate
CID 53380978
ethyl (2S)-2-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]-5-methylhex-4-enoate
CID 11023702
ethyl (E,4S)-4-methoxy-6-[(4-methoxyphenyl)methoxy]-2-methylhex-2-enoate
CID 134839548
ethyl 2-[(4-methoxyphenyl)methoxy]butanoate
CID 64663670
1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene
CID 10798623
ethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate
CID 11034192
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137
1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one
CID 58822506
ethyl (E,5S,6S,7R)-6-hydroxy-8-[(4-methoxyphenyl)methoxy]-5,7-dimethyloct-2-enoate
CID 15449658
ethyl (E,5R)-5-hydroxy-7-[(4-methoxyphenyl)methoxy]-6,6-dimethylhept-2-enoate
CID 134944528
ethyl (2E,4Z)-4-iodo-7-[(4-methoxyphenyl)methoxy]hepta-2,4-dienoate
CID 24900139

Frequently Asked Questions

What is the IUPAC name of [(4E)-6-ethoxyhepta-4,6-dien-3-yl] 2-[(4-methoxyphenyl)methoxy]acetate?
The IUPAC name of [(4E)-6-ethoxyhepta-4,6-dien-3-yl] 2-[(4-methoxyphenyl)methoxy]acetate (CID 101072466) is [(4E)-6-ethoxyhepta-4,6-dien-3-yl] 2-[(4-methoxyphenyl)methoxy]acetate.
What is the SMILES notation for [(4E)-6-ethoxyhepta-4,6-dien-3-yl] 2-[(4-methoxyphenyl)methoxy]acetate?
The canonical SMILES for [(4E)-6-ethoxyhepta-4,6-dien-3-yl] 2-[(4-methoxyphenyl)methoxy]acetate is C=C(/C=C/C(CC)OC(=O)COCc1ccc(OC)cc1)OCC.
What is the InChIKey of [(4E)-6-ethoxyhepta-4,6-dien-3-yl] 2-[(4-methoxyphenyl)methoxy]acetate?
The InChIKey is MHJSCWKJOMZTOV-JXMROGBWSA-N. The full InChI is InChI=1S/C19H26O5/c1-5-17(10-7-15(3)23-6-2)24-19(20)14-22-13-16-8-11-18(21-4)12-9-16/h7-12,17H,3,5-6,13-14H2,1-2,4H3/b10-7+.
What are the key properties of [(4E)-6-ethoxyhepta-4,6-dien-3-yl] 2-[(4-methoxyphenyl)methoxy]acetate?
[(4E)-6-ethoxyhepta-4,6-dien-3-yl] 2-[(4-methoxyphenyl)methoxy]acetate has a molecular weight of 334.41 g/mol, XLogP of 3.64, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-6-ethoxyhepta-4,6-dien-3-yl] 2-[(4-methoxyphenyl)methoxy]acetate is sourced from PubChem (CID 101072466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).