ethenyl 2-ethylhexanoate;ethenyl hexanoate

C18H32O4 — CID 146382132

IUPACethenyl 2-ethylhexanoate;ethenyl hexanoate
SMILESC=COC(=O)C(CC)CCCC.C=COC(=O)CCCCC
InChIInChI=1S/C10H18O2.C8H14O2/c1-4-7-8-9(5-2)10(11)12-6-3;1-3-5-6-7-8(9)10-4-2/h6,9H,3-5,7-8H2,1-2H3;4H,2-3,5-7H2,1H3
InChIKeyMQJLPIPXWUAKIJ-UHFFFAOYSA-N
MW312.45 g/mol
LogP5.14
Rot. Bonds11

About ethenyl 2-ethylhexanoate;ethenyl hexanoate

ethenyl 2-ethylhexanoate;ethenyl hexanoate (PubChem CID 146382132) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is ethenyl 2-ethylhexanoate;ethenyl hexanoate.

Molecular Properties

Compound Nameethenyl 2-ethylhexanoate;ethenyl hexanoate
PubChem CID146382132
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Nameethenyl 2-ethylhexanoate;ethenyl hexanoate
SMILESC=COC(=O)C(CC)CCCC.C=COC(=O)CCCCC
InChIInChI=1S/C10H18O2.C8H14O2/c1-4-7-8-9(5-2)10(11)12-6-3;1-3-5-6-7-8(9)10-4-2/h6,9H,3-5,7-8H2,1-2H3;4H,2-3,5-7H2,1H3
InChIKeyMQJLPIPXWUAKIJ-UHFFFAOYSA-N
XLogP5.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.45
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethenyl 2-ethylhexanoate;ethenyl hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethenyl octacosanoate
CID 54439588
ethenyl heptatriacontanoate
CID 139682782
ethenyl henpentacontanoate
CID 139683011
ethenyl tetracontanoate
CID 139682936
ethenyl 2-octyldecanoate
CID 88608702
ethenyl butanoate;ethenyl octadecanoate
CID 161122383
acetic acid;ethenyl octadecanoate
CID 87067593
bis(ethenyl) hexanedioate
CID 19997
ethenyl pentanoate;methoxyethene
CID 174843256
formyl 2-ethyltridecanoate
CID 174857342
ethenyl (9Z,12Z)-octadeca-9,12-dienoate
CID 87157382
dioctyl 2-ethylpentadecanedioate
CID 87116486

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-ethylhexanoate;ethenyl hexanoate?
The IUPAC name of ethenyl 2-ethylhexanoate;ethenyl hexanoate (CID 146382132) is ethenyl 2-ethylhexanoate;ethenyl hexanoate.
What is the SMILES notation for ethenyl 2-ethylhexanoate;ethenyl hexanoate?
The canonical SMILES for ethenyl 2-ethylhexanoate;ethenyl hexanoate is C=COC(=O)C(CC)CCCC.C=COC(=O)CCCCC.
What is the InChIKey of ethenyl 2-ethylhexanoate;ethenyl hexanoate?
The InChIKey is MQJLPIPXWUAKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2.C8H14O2/c1-4-7-8-9(5-2)10(11)12-6-3;1-3-5-6-7-8(9)10-4-2/h6,9H,3-5,7-8H2,1-2H3;4H,2-3,5-7H2,1H3.
What are the key properties of ethenyl 2-ethylhexanoate;ethenyl hexanoate?
ethenyl 2-ethylhexanoate;ethenyl hexanoate has a molecular weight of 312.45 g/mol, XLogP of 5.14, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-ethylhexanoate;ethenyl hexanoate is sourced from PubChem (CID 146382132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).