ethyl (E)-10-hydroxydec-4-enoate

C12H22O3 — CID 11344916

IUPACethyl (E)-10-hydroxydec-4-enoate
SMILESCCOC(=O)CC/C=C/CCCCCO
InChIInChI=1S/C12H22O3/c1-2-15-12(14)10-8-6-4-3-5-7-9-11-13/h4,6,13H,2-3,5,7-11H2,1H3/b6-4+
InChIKeyMJHIJGWYBCXZRV-GQCTYLIASA-N
MW214.30 g/mol
LogP2.44
Rot. Bonds9

About ethyl (E)-10-hydroxydec-4-enoate

ethyl (E)-10-hydroxydec-4-enoate (PubChem CID 11344916) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is ethyl (E)-10-hydroxydec-4-enoate.

Molecular Properties

Compound Nameethyl (E)-10-hydroxydec-4-enoate
PubChem CID11344916
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Nameethyl (E)-10-hydroxydec-4-enoate
SMILESCCOC(=O)CC/C=C/CCCCCO
InChIInChI=1S/C12H22O3/c1-2-15-12(14)10-8-6-4-3-5-7-9-11-13/h4,6,13H,2-3,5,7-11H2,1H3/b6-4+
InChIKeyMJHIJGWYBCXZRV-GQCTYLIASA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (E)-10-hydroxydec-4-enoate 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

ethyl (E)-tridec-4-enoate
CID 10944557
ethyl (Z)-icos-9-enoate
CID 72941815
ethyl octadec-8-enoate
CID 71350628
ethyl (Z)-3,12-dihydroxydodec-5-enoate
CID 146253641
CID 175771564
CID 175771564
ethyl (Z)-7-hydroxyhept-5-enoate
CID 10797277
ethyl tetradeca-4,8,12-trienoate
CID 141176666
13-hydroxytridecyl tetradec-9-enoate
CID 174214933
4-hydroxybutyl (Z)-octadec-9-enoate
CID 6432871
[(Z)-non-3-enyl] 8-hydroxyoctanoate
CID 172621176
19-hydroxynonadecyl icos-13-enoate
CID 166097726
25-hydroxypentacosyl icos-13-enoate
CID 166097569

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-10-hydroxydec-4-enoate?
The IUPAC name of ethyl (E)-10-hydroxydec-4-enoate (CID 11344916) is ethyl (E)-10-hydroxydec-4-enoate.
What is the SMILES notation for ethyl (E)-10-hydroxydec-4-enoate?
The canonical SMILES for ethyl (E)-10-hydroxydec-4-enoate is CCOC(=O)CC/C=C/CCCCCO.
What is the InChIKey of ethyl (E)-10-hydroxydec-4-enoate?
The InChIKey is MJHIJGWYBCXZRV-GQCTYLIASA-N. The full InChI is InChI=1S/C12H22O3/c1-2-15-12(14)10-8-6-4-3-5-7-9-11-13/h4,6,13H,2-3,5,7-11H2,1H3/b6-4+.
What are the key properties of ethyl (E)-10-hydroxydec-4-enoate?
ethyl (E)-10-hydroxydec-4-enoate has a molecular weight of 214.30 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-10-hydroxydec-4-enoate is sourced from PubChem (CID 11344916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).