methyl (3E,5E)-5-methoxy-3-methylocta-3,5,7-trienoate

C11H16O3 — CID 143061630

IUPACmethyl (3E,5E)-5-methoxy-3-methylocta-3,5,7-trienoate
SMILESC=C/C=C(\C=C(/C)CC(=O)OC)OC
InChIInChI=1S/C11H16O3/c1-5-6-10(13-3)7-9(2)8-11(12)14-4/h5-7H,1,8H2,2-4H3/b9-7+,10-6+
InChIKeyAKCARHGMUOVDSM-IDXDHNASSA-N
MW196.25 g/mol
LogP2.21
Rot. Bonds5

About methyl (3E,5E)-5-methoxy-3-methylocta-3,5,7-trienoate

methyl (3E,5E)-5-methoxy-3-methylocta-3,5,7-trienoate (PubChem CID 143061630) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl (3E,5E)-5-methoxy-3-methylocta-3,5,7-trienoate.

Molecular Properties

Compound Namemethyl (3E,5E)-5-methoxy-3-methylocta-3,5,7-trienoate
PubChem CID143061630
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namemethyl (3E,5E)-5-methoxy-3-methylocta-3,5,7-trienoate
SMILESC=C/C=C(\C=C(/C)CC(=O)OC)OC
InChIInChI=1S/C11H16O3/c1-5-6-10(13-3)7-9(2)8-11(12)14-4/h5-7H,1,8H2,2-4H3/b9-7+,10-6+
InChIKeyAKCARHGMUOVDSM-IDXDHNASSA-N
XLogP2.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(3E)-4-methoxy-6-methylhepta-1,3,5-triene
CID 88949274
(2E,4E)-N-ethyl-4-methoxyhepta-2,4,6-trien-2-amine
CID 129144493
(2Z,4E)-4-methoxyhepta-2,4,6-trien-1-ol
CID 89344777
4-methoxyhexa-3,5-dien-2-one
CID 71435103
(1Z,3E)-3-methoxyhexa-1,3,5-triene-1-thiol
CID 145478099
(3Z)-3-methoxyhexa-3,5-dien-2-one;propane
CID 144684932
4,6-dimethylocta-1,3,6-triene
CID 59970849
5-O-ethyl 1-O-methyl (E)-3-methylpent-2-enedioate
CID 5372586
methyl (4Z)-3-methylidenehepta-4,6-dienoate
CID 143290496
CID 87726616
CID 87726616
CID 172760784
CID 172760784
bis(2-methoxy-2-oxoethyl)mercury
CID 12632737

Frequently Asked Questions

What is the IUPAC name of methyl (3E,5E)-5-methoxy-3-methylocta-3,5,7-trienoate?
The IUPAC name of methyl (3E,5E)-5-methoxy-3-methylocta-3,5,7-trienoate (CID 143061630) is methyl (3E,5E)-5-methoxy-3-methylocta-3,5,7-trienoate.
What is the SMILES notation for methyl (3E,5E)-5-methoxy-3-methylocta-3,5,7-trienoate?
The canonical SMILES for methyl (3E,5E)-5-methoxy-3-methylocta-3,5,7-trienoate is C=C/C=C(\C=C(/C)CC(=O)OC)OC.
What is the InChIKey of methyl (3E,5E)-5-methoxy-3-methylocta-3,5,7-trienoate?
The InChIKey is AKCARHGMUOVDSM-IDXDHNASSA-N. The full InChI is InChI=1S/C11H16O3/c1-5-6-10(13-3)7-9(2)8-11(12)14-4/h5-7H,1,8H2,2-4H3/b9-7+,10-6+.
What are the key properties of methyl (3E,5E)-5-methoxy-3-methylocta-3,5,7-trienoate?
methyl (3E,5E)-5-methoxy-3-methylocta-3,5,7-trienoate has a molecular weight of 196.25 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3E,5E)-5-methoxy-3-methylocta-3,5,7-trienoate is sourced from PubChem (CID 143061630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).