oxiran-2-ylmethyl 2-methylidenetetradecanoate

C18H32O3 — CID 22459422

IUPACoxiran-2-ylmethyl 2-methylidenetetradecanoate
SMILESC=C(CCCCCCCCCCCC)C(=O)OCC1CO1
InChIInChI=1S/C18H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)18(19)21-15-17-14-20-17/h17H,2-15H2,1H3
InChIKeyIRLPTRFHXMSLKK-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.80
Rot. Bonds14

About oxiran-2-ylmethyl 2-methylidenetetradecanoate

oxiran-2-ylmethyl 2-methylidenetetradecanoate (PubChem CID 22459422) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is oxiran-2-ylmethyl 2-methylidenetetradecanoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 2-methylidenetetradecanoate
PubChem CID22459422
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Nameoxiran-2-ylmethyl 2-methylidenetetradecanoate
SMILESC=C(CCCCCCCCCCCC)C(=O)OCC1CO1
InChIInChI=1S/C18H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)18(19)21-15-17-14-20-17/h17H,2-15H2,1H3
InChIKeyIRLPTRFHXMSLKK-UHFFFAOYSA-N
XLogP4.80
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze oxiran-2-ylmethyl 2-methylidenetetradecanoate 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

ethoxyethane;oxiran-2-ylmethyl 6-hydroxy-2-methylidenehexanoate
CID 87226077
2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87254151
ethyl 2-methylideneicosanoate
CID 22336431
oxiran-2-ylmethyl 2-methylidenetetradec-3-enoate
CID 156787932
ethene;ethyl 2-methylideneoctanoate
CID 87556875
heptyl 2-methylideneundecanoate
CID 176549260
nonyl 2-methylideneundecanoate
CID 142441213
octadecyl 2-methylideneicosanoate
CID 57219526
butyl 2-methylideneoctanoate
CID 23364330
oxiran-2-ylmethyl 2-methylidene-4-oxopentanoate
CID 135332305
fluoromethyl 2-methylidenetetradecanoate
CID 174698214
fluoromethyl 2-methylidenenonanoate
CID 160819966

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl 2-methylidenetetradecanoate?
The IUPAC name of oxiran-2-ylmethyl 2-methylidenetetradecanoate (CID 22459422) is oxiran-2-ylmethyl 2-methylidenetetradecanoate.
What is the SMILES notation for oxiran-2-ylmethyl 2-methylidenetetradecanoate?
The canonical SMILES for oxiran-2-ylmethyl 2-methylidenetetradecanoate is C=C(CCCCCCCCCCCC)C(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl 2-methylidenetetradecanoate?
The InChIKey is IRLPTRFHXMSLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)18(19)21-15-17-14-20-17/h17H,2-15H2,1H3.
What are the key properties of oxiran-2-ylmethyl 2-methylidenetetradecanoate?
oxiran-2-ylmethyl 2-methylidenetetradecanoate has a molecular weight of 296.45 g/mol, XLogP of 4.80, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 2-methylidenetetradecanoate is sourced from PubChem (CID 22459422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).