oxiran-2-ylmethyl (E)-undec-5-enoate

C14H24O3 — CID 102240282

IUPACoxiran-2-ylmethyl (E)-undec-5-enoate
SMILESCCCCC/C=C/CCCC(=O)OCC1CO1
InChIInChI=1S/C14H24O3/c1-2-3-4-5-6-7-8-9-10-14(15)17-12-13-11-16-13/h6-7,13H,2-5,8-12H2,1H3/b7-6+
InChIKeyJVPDZHGJYVNBHC-VOTSOKGWSA-N
MW240.34 g/mol
LogP3.24
Rot. Bonds10

About oxiran-2-ylmethyl (E)-undec-5-enoate

oxiran-2-ylmethyl (E)-undec-5-enoate (PubChem CID 102240282) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is oxiran-2-ylmethyl (E)-undec-5-enoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl (E)-undec-5-enoate
PubChem CID102240282
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameoxiran-2-ylmethyl (E)-undec-5-enoate
SMILESCCCCC/C=C/CCCC(=O)OCC1CO1
InChIInChI=1S/C14H24O3/c1-2-3-4-5-6-7-8-9-10-14(15)17-12-13-11-16-13/h6-7,13H,2-5,8-12H2,1H3/b7-6+
InChIKeyJVPDZHGJYVNBHC-VOTSOKGWSA-N
XLogP3.24
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze oxiran-2-ylmethyl (E)-undec-5-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

oxiran-2-ylmethyl (Z)-tetradec-9-enoate
CID 171784698
[(2S)-oxiran-2-yl]methyl (9Z,12Z)-octadeca-9,12-dienoate
CID 92852361
oxiran-2-ylmethyl (E)-non-6-enoate
CID 102240268
1,3-dioxolan-4-ylmethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
CID 66739132
2-(oxiran-2-ylmethoxymethyl)oxirane;pentyl (Z)-octadec-9-enoate
CID 174667937
[3-(octadec-9-enoyloxymethyl)-1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonan-8-yl]methyl octadec-9-enoate
CID 170846327
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl (9Z,12Z)-octadeca-9,12-dienoate
CID 95162554
oxolan-3-ylmethyl (Z)-octadec-9-enoate
CID 21160037
butyl undec-5-enoate
CID 123460322
[(3R,4R)-4-[[(Z)-octadec-9-enoyl]oxymethyl]pyrrolidin-3-yl]methyl (Z)-octadec-9-enoate
CID 71293137
[(3S,4S)-4-[[(E)-octadec-9-enoyl]oxymethyl]pyrrolidin-3-yl]methyl (E)-octadec-9-enoate
CID 89427391
oxiran-2-ylmethyl 2-methylidenetetradec-3-enoate
CID 156787932

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl (E)-undec-5-enoate?
The IUPAC name of oxiran-2-ylmethyl (E)-undec-5-enoate (CID 102240282) is oxiran-2-ylmethyl (E)-undec-5-enoate.
What is the SMILES notation for oxiran-2-ylmethyl (E)-undec-5-enoate?
The canonical SMILES for oxiran-2-ylmethyl (E)-undec-5-enoate is CCCCC/C=C/CCCC(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl (E)-undec-5-enoate?
The InChIKey is JVPDZHGJYVNBHC-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H24O3/c1-2-3-4-5-6-7-8-9-10-14(15)17-12-13-11-16-13/h6-7,13H,2-5,8-12H2,1H3/b7-6+.
What are the key properties of oxiran-2-ylmethyl (E)-undec-5-enoate?
oxiran-2-ylmethyl (E)-undec-5-enoate has a molecular weight of 240.34 g/mol, XLogP of 3.24, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl (E)-undec-5-enoate is sourced from PubChem (CID 102240282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).