ethenyl pentanoate;methoxyethene

C10H18O3 — CID 174843256

IUPACethenyl pentanoate;methoxyethene
SMILESC=COC.C=COC(=O)CCCC
InChIInChI=1S/C7H12O2.C3H6O/c1-3-5-6-7(8)9-4-2;1-3-4-2/h4H,2-3,5-6H2,1H3;3H,1H2,2H3
InChIKeyPYFULROEXTUJOT-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.64
Rot. Bonds5

About ethenyl pentanoate;methoxyethene

ethenyl pentanoate;methoxyethene (PubChem CID 174843256) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethenyl pentanoate;methoxyethene.

Molecular Properties

Compound Nameethenyl pentanoate;methoxyethene
PubChem CID174843256
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethenyl pentanoate;methoxyethene
SMILESC=COC.C=COC(=O)CCCC
InChIInChI=1S/C7H12O2.C3H6O/c1-3-5-6-7(8)9-4-2;1-3-4-2/h4H,2-3,5-6H2,1H3;3H,1H2,2H3
InChIKeyPYFULROEXTUJOT-UHFFFAOYSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethenyl octacosanoate
CID 54439588
ethenyl heptatriacontanoate
CID 139682782
ethenyl henpentacontanoate
CID 139683011
ethenyl tetracontanoate
CID 139682936
ethenyl butanoate;ethenyl octadecanoate
CID 161122383
ethanol;ethenyl butanoate
CID 87410894
acetic acid;ethenyl octadecanoate
CID 87067593
bis(ethenyl) hexanedioate
CID 19997
butane-1,4-diol;ethenyl butanoate
CID 159135877
acetic acid;bis(ethenyl) dodecanedioate
CID 174577990
ethenyl (9Z,12Z)-octadeca-9,12-dienoate
CID 87157382
ethenyl butanoate;prop-2-enal
CID 174800304

Frequently Asked Questions

What is the IUPAC name of ethenyl pentanoate;methoxyethene?
The IUPAC name of ethenyl pentanoate;methoxyethene (CID 174843256) is ethenyl pentanoate;methoxyethene.
What is the SMILES notation for ethenyl pentanoate;methoxyethene?
The canonical SMILES for ethenyl pentanoate;methoxyethene is C=COC.C=COC(=O)CCCC.
What is the InChIKey of ethenyl pentanoate;methoxyethene?
The InChIKey is PYFULROEXTUJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C3H6O/c1-3-5-6-7(8)9-4-2;1-3-4-2/h4H,2-3,5-6H2,1H3;3H,1H2,2H3.
What are the key properties of ethenyl pentanoate;methoxyethene?
ethenyl pentanoate;methoxyethene has a molecular weight of 186.25 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl pentanoate;methoxyethene is sourced from PubChem (CID 174843256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).