methyl (2E,4E)-7-(1-ethoxyethoxy)-6-methylocta-2,4-dienoate

C14H24O4 — CID 5366377

IUPACmethyl (2E,4E)-7-(1-ethoxyethoxy)-6-methylocta-2,4-dienoate
SMILESCCOC(C)OC(C)C(C)/C=C/C=C/C(=O)OC
InChIInChI=1S/C14H24O4/c1-6-17-13(4)18-12(3)11(2)9-7-8-10-14(15)16-5/h7-13H,6H2,1-5H3/b9-7+,10-8+
InChIKeyDKVFMUYSPYVRSG-FIFLTTCUSA-N
MW256.34 g/mol
LogP2.70
Rot. Bonds8

About methyl (2E,4E)-7-(1-ethoxyethoxy)-6-methylocta-2,4-dienoate

methyl (2E,4E)-7-(1-ethoxyethoxy)-6-methylocta-2,4-dienoate (PubChem CID 5366377) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is methyl (2E,4E)-7-(1-ethoxyethoxy)-6-methylocta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E)-7-(1-ethoxyethoxy)-6-methylocta-2,4-dienoate
PubChem CID5366377
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namemethyl (2E,4E)-7-(1-ethoxyethoxy)-6-methylocta-2,4-dienoate
SMILESCCOC(C)OC(C)C(C)/C=C/C=C/C(=O)OC
InChIInChI=1S/C14H24O4/c1-6-17-13(4)18-12(3)11(2)9-7-8-10-14(15)16-5/h7-13H,6H2,1-5H3/b9-7+,10-8+
InChIKeyDKVFMUYSPYVRSG-FIFLTTCUSA-N
XLogP2.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

(2S,3S)-2-[(1E,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]-3-methyl-2,3-dihydropyran-6-one
CID 137650531
Ethyl 5,5-diethoxy-2-pentenoate
CID 85440878
ethyl (2E,4E,6E)-8,8-diacetyloxy-2,6-dimethylocta-2,4,6-trienoate
CID 13321906
[(E)-5-(methoxymethoxy)-2,6-dimethylhept-3-en-2-yl] acetate
CID 11118275
methyl (2Z,4E)-2-[(E)-4,4-diethoxybut-1-enyl]-7,7-diethoxyhepta-2,4-dienoate
CID 11793531
methyl (E,4S,5R)-4-ethyl-5-(methoxymethoxy)hex-2-enoate
CID 13215304
tert-butyl (E,4S)-4-(methoxymethoxy)pent-2-enoate
CID 15383233
methyl (2E,4E)-4-(diethoxymethyl)-5-tributylstannylpenta-2,4-dienoate
CID 15666115
ethyl (E,4R)-4-(methoxymethoxy)hex-2-enoate
CID 16128038
methyl (2Z,4R,5S)-5-(methoxymethoxy)-3,4-dimethylhepta-2,6-dienoate
CID 25259707
ethyl (Z,2Z)-2-ethylidene-5-[(2-methylpropan-2-yl)oxycarbonyloxy]pent-3-enoate
CID 102286436
Ethyl 8-ethoxy-6,8-dimethoxy-2,4-octadienoate
CID 129805153

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E)-7-(1-ethoxyethoxy)-6-methylocta-2,4-dienoate?
The IUPAC name of methyl (2E,4E)-7-(1-ethoxyethoxy)-6-methylocta-2,4-dienoate (CID 5366377) is methyl (2E,4E)-7-(1-ethoxyethoxy)-6-methylocta-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E)-7-(1-ethoxyethoxy)-6-methylocta-2,4-dienoate?
The canonical SMILES for methyl (2E,4E)-7-(1-ethoxyethoxy)-6-methylocta-2,4-dienoate is CCOC(C)OC(C)C(C)/C=C/C=C/C(=O)OC.
What is the InChIKey of methyl (2E,4E)-7-(1-ethoxyethoxy)-6-methylocta-2,4-dienoate?
The InChIKey is DKVFMUYSPYVRSG-FIFLTTCUSA-N. The full InChI is InChI=1S/C14H24O4/c1-6-17-13(4)18-12(3)11(2)9-7-8-10-14(15)16-5/h7-13H,6H2,1-5H3/b9-7+,10-8+.
What are the key properties of methyl (2E,4E)-7-(1-ethoxyethoxy)-6-methylocta-2,4-dienoate?
methyl (2E,4E)-7-(1-ethoxyethoxy)-6-methylocta-2,4-dienoate has a molecular weight of 256.34 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E)-7-(1-ethoxyethoxy)-6-methylocta-2,4-dienoate is sourced from PubChem (CID 5366377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).