ethenyl 2-ethenylhexanoate

C10H16O2 — CID 141233321

IUPACethenyl 2-ethenylhexanoate
SMILESC=COC(=O)C(C=C)CCCC
InChIInChI=1S/C10H16O2/c1-4-7-8-9(5-2)10(11)12-6-3/h5-6,9H,2-4,7-8H2,1H3
InChIKeyGZDXZLPESCYINJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.67
Rot. Bonds6

About ethenyl 2-ethenylhexanoate

ethenyl 2-ethenylhexanoate (PubChem CID 141233321) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is ethenyl 2-ethenylhexanoate.

Molecular Properties

Compound Nameethenyl 2-ethenylhexanoate
PubChem CID141233321
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameethenyl 2-ethenylhexanoate
SMILESC=COC(=O)C(C=C)CCCC
InChIInChI=1S/C10H16O2/c1-4-7-8-9(5-2)10(11)12-6-3/h5-6,9H,2-4,7-8H2,1H3
InChIKeyGZDXZLPESCYINJ-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl 2-ethenylhexanoate?
The IUPAC name of ethenyl 2-ethenylhexanoate (CID 141233321) is ethenyl 2-ethenylhexanoate.
What is the SMILES notation for ethenyl 2-ethenylhexanoate?
The canonical SMILES for ethenyl 2-ethenylhexanoate is C=COC(=O)C(C=C)CCCC.
What is the InChIKey of ethenyl 2-ethenylhexanoate?
The InChIKey is GZDXZLPESCYINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-7-8-9(5-2)10(11)12-6-3/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of ethenyl 2-ethenylhexanoate?
ethenyl 2-ethenylhexanoate has a molecular weight of 168.24 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-ethenylhexanoate is sourced from PubChem (CID 141233321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).