methyl 4-(ethoxymethyl)hex-5-enoate

C10H18O3 — CID 86079049

IUPACmethyl 4-(ethoxymethyl)hex-5-enoate
SMILESC=CC(CCC(=O)OC)COCC
InChIInChI=1S/C10H18O3/c1-4-9(8-13-5-2)6-7-10(11)12-3/h4,9H,1,5-8H2,2-3H3
InChIKeyIYVRCYADZAUUDF-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.78
Rot. Bonds7

About methyl 4-(ethoxymethyl)hex-5-enoate

methyl 4-(ethoxymethyl)hex-5-enoate (PubChem CID 86079049) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 4-(ethoxymethyl)hex-5-enoate.

Molecular Properties

Compound Namemethyl 4-(ethoxymethyl)hex-5-enoate
PubChem CID86079049
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namemethyl 4-(ethoxymethyl)hex-5-enoate
SMILESC=CC(CCC(=O)OC)COCC
InChIInChI=1S/C10H18O3/c1-4-9(8-13-5-2)6-7-10(11)12-3/h4,9H,1,5-8H2,2-3H3
InChIKeyIYVRCYADZAUUDF-UHFFFAOYSA-N
XLogP1.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(ethoxymethyl)hex-5-enoate?
The IUPAC name of methyl 4-(ethoxymethyl)hex-5-enoate (CID 86079049) is methyl 4-(ethoxymethyl)hex-5-enoate.
What is the SMILES notation for methyl 4-(ethoxymethyl)hex-5-enoate?
The canonical SMILES for methyl 4-(ethoxymethyl)hex-5-enoate is C=CC(CCC(=O)OC)COCC.
What is the InChIKey of methyl 4-(ethoxymethyl)hex-5-enoate?
The InChIKey is IYVRCYADZAUUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-9(8-13-5-2)6-7-10(11)12-3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of methyl 4-(ethoxymethyl)hex-5-enoate?
methyl 4-(ethoxymethyl)hex-5-enoate has a molecular weight of 186.25 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(ethoxymethyl)hex-5-enoate is sourced from PubChem (CID 86079049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).