methyl 5-ethenoxy-2-methylidenehexanoate

C10H16O3 — CID 87336965

IUPACmethyl 5-ethenoxy-2-methylidenehexanoate
SMILESC=COC(C)CCC(=C)C(=O)OC
InChIInChI=1S/C10H16O3/c1-5-13-9(3)7-6-8(2)10(11)12-4/h5,9H,1-2,6-7H2,3-4H3
InChIKeyUGMZEYGGNIMBKC-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.04
Rot. Bonds6

About methyl 5-ethenoxy-2-methylidenehexanoate

methyl 5-ethenoxy-2-methylidenehexanoate (PubChem CID 87336965) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 5-ethenoxy-2-methylidenehexanoate.

Molecular Properties

Compound Namemethyl 5-ethenoxy-2-methylidenehexanoate
PubChem CID87336965
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 5-ethenoxy-2-methylidenehexanoate
SMILESC=COC(C)CCC(=C)C(=O)OC
InChIInChI=1S/C10H16O3/c1-5-13-9(3)7-6-8(2)10(11)12-4/h5,9H,1-2,6-7H2,3-4H3
InChIKeyUGMZEYGGNIMBKC-UHFFFAOYSA-N
XLogP2.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethenoxy-2-methylidenehexanoate?
The IUPAC name of methyl 5-ethenoxy-2-methylidenehexanoate (CID 87336965) is methyl 5-ethenoxy-2-methylidenehexanoate.
What is the SMILES notation for methyl 5-ethenoxy-2-methylidenehexanoate?
The canonical SMILES for methyl 5-ethenoxy-2-methylidenehexanoate is C=COC(C)CCC(=C)C(=O)OC.
What is the InChIKey of methyl 5-ethenoxy-2-methylidenehexanoate?
The InChIKey is UGMZEYGGNIMBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-13-9(3)7-6-8(2)10(11)12-4/h5,9H,1-2,6-7H2,3-4H3.
What are the key properties of methyl 5-ethenoxy-2-methylidenehexanoate?
methyl 5-ethenoxy-2-methylidenehexanoate has a molecular weight of 184.23 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethenoxy-2-methylidenehexanoate is sourced from PubChem (CID 87336965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).