ethyl (2E,4E)-9-[(4-methoxyphenyl)methoxy]nona-2,4-dienoate

C19H26O4 — CID 72700869

IUPACethyl (2E,4E)-9-[(4-methoxyphenyl)methoxy]nona-2,4-dienoate
SMILESCCOC(=O)/C=C/C=C/CCCCOCc1ccc(OC)cc1
InChIInChI=1S/C19H26O4/c1-3-23-19(20)10-8-6-4-5-7-9-15-22-16-17-11-13-18(21-2)14-12-17/h4,6,8,10-14H,3,5,7,9,15-16H2,1-2H3/b6-4+,10-8+
InChIKeyPVIREHFKHUGWCF-ONNLMXTPSA-N
MW318.41 g/mol
LogP4.06
Rot. Bonds11

About ethyl (2E,4E)-9-[(4-methoxyphenyl)methoxy]nona-2,4-dienoate

ethyl (2E,4E)-9-[(4-methoxyphenyl)methoxy]nona-2,4-dienoate (PubChem CID 72700869) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is ethyl (2E,4E)-9-[(4-methoxyphenyl)methoxy]nona-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-9-[(4-methoxyphenyl)methoxy]nona-2,4-dienoate
PubChem CID72700869
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Nameethyl (2E,4E)-9-[(4-methoxyphenyl)methoxy]nona-2,4-dienoate
SMILESCCOC(=O)/C=C/C=C/CCCCOCc1ccc(OC)cc1
InChIInChI=1S/C19H26O4/c1-3-23-19(20)10-8-6-4-5-7-9-15-22-16-17-11-13-18(21-2)14-12-17/h4,6,8,10-14H,3,5,7,9,15-16H2,1-2H3/b6-4+,10-8+
InChIKeyPVIREHFKHUGWCF-ONNLMXTPSA-N
XLogP4.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E,4E)-8-phenylmethoxyocta-2,4-dienoate
CID 11097751
ethyl (2E,4Z)-4-iodo-7-[(4-methoxyphenyl)methoxy]hepta-2,4-dienoate
CID 24900139
(E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one
CID 10752160
ethyl 5-(4-methoxyphenyl)pent-2-enoate
CID 66971568
14-[(4-methoxyphenyl)methoxy]tetradecanal
CID 25186279
ethyl (2E,4E)-4-methyl-10-phenylmethoxydeca-2,4-dienoate
CID 102080513
ethyl deca-2,4-dienoate;ethyl (2E,4Z)-deca-2,4-dienoate
CID 87304480
ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate
CID 11499739
5-[(4-methoxyphenyl)methoxy]pentanehydrazide
CID 63575038
ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate
CID 53380978
2-[4-[(2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoyl]oxyphenyl]ethyl (2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoate
CID 87381557
ethyl (E,5S,6S,7R)-6-hydroxy-8-[(4-methoxyphenyl)methoxy]-5,7-dimethyloct-2-enoate
CID 15449658

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-9-[(4-methoxyphenyl)methoxy]nona-2,4-dienoate?
The IUPAC name of ethyl (2E,4E)-9-[(4-methoxyphenyl)methoxy]nona-2,4-dienoate (CID 72700869) is ethyl (2E,4E)-9-[(4-methoxyphenyl)methoxy]nona-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E)-9-[(4-methoxyphenyl)methoxy]nona-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E)-9-[(4-methoxyphenyl)methoxy]nona-2,4-dienoate is CCOC(=O)/C=C/C=C/CCCCOCc1ccc(OC)cc1.
What is the InChIKey of ethyl (2E,4E)-9-[(4-methoxyphenyl)methoxy]nona-2,4-dienoate?
The InChIKey is PVIREHFKHUGWCF-ONNLMXTPSA-N. The full InChI is InChI=1S/C19H26O4/c1-3-23-19(20)10-8-6-4-5-7-9-15-22-16-17-11-13-18(21-2)14-12-17/h4,6,8,10-14H,3,5,7,9,15-16H2,1-2H3/b6-4+,10-8+.
What are the key properties of ethyl (2E,4E)-9-[(4-methoxyphenyl)methoxy]nona-2,4-dienoate?
ethyl (2E,4E)-9-[(4-methoxyphenyl)methoxy]nona-2,4-dienoate has a molecular weight of 318.41 g/mol, XLogP of 4.06, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-9-[(4-methoxyphenyl)methoxy]nona-2,4-dienoate is sourced from PubChem (CID 72700869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).