methyl (E)-8-methoxy-2-methyloct-6-enoate

C11H20O3 — CID 14178181

IUPACmethyl (E)-8-methoxy-2-methyloct-6-enoate
SMILESCOC/C=C/CCCC(C)C(=O)OC
InChIInChI=1S/C11H20O3/c1-10(11(12)14-3)8-6-4-5-7-9-13-2/h5,7,10H,4,6,8-9H2,1-3H3/b7-5+
InChIKeyILEJLAXIALBLOQ-FNORWQNLSA-N
MW200.28 g/mol
LogP2.17
Rot. Bonds7

About methyl (E)-8-methoxy-2-methyloct-6-enoate

methyl (E)-8-methoxy-2-methyloct-6-enoate (PubChem CID 14178181) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl (E)-8-methoxy-2-methyloct-6-enoate.

Molecular Properties

Compound Namemethyl (E)-8-methoxy-2-methyloct-6-enoate
PubChem CID14178181
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namemethyl (E)-8-methoxy-2-methyloct-6-enoate
SMILESCOC/C=C/CCCC(C)C(=O)OC
InChIInChI=1S/C11H20O3/c1-10(11(12)14-3)8-6-4-5-7-9-13-2/h5,7,10H,4,6,8-9H2,1-3H3/b7-5+
InChIKeyILEJLAXIALBLOQ-FNORWQNLSA-N
XLogP2.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-8-methoxy-2-methyloct-6-enoate?
The IUPAC name of methyl (E)-8-methoxy-2-methyloct-6-enoate (CID 14178181) is methyl (E)-8-methoxy-2-methyloct-6-enoate.
What is the SMILES notation for methyl (E)-8-methoxy-2-methyloct-6-enoate?
The canonical SMILES for methyl (E)-8-methoxy-2-methyloct-6-enoate is COC/C=C/CCCC(C)C(=O)OC.
What is the InChIKey of methyl (E)-8-methoxy-2-methyloct-6-enoate?
The InChIKey is ILEJLAXIALBLOQ-FNORWQNLSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(11(12)14-3)8-6-4-5-7-9-13-2/h5,7,10H,4,6,8-9H2,1-3H3/b7-5+.
What are the key properties of methyl (E)-8-methoxy-2-methyloct-6-enoate?
methyl (E)-8-methoxy-2-methyloct-6-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-8-methoxy-2-methyloct-6-enoate is sourced from PubChem (CID 14178181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).