2-(pentadec-2-enoxymethyl)oxirane

C18H34O2 — CID 175115833

IUPAC2-(pentadec-2-enoxymethyl)oxirane
SMILESCCCCCCCCCCCCC=CCOCC1CO1
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-18-17-20-18/h13-14,18H,2-12,15-17H2,1H3
InChIKeyXUSJOFQRHKERQK-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.27
Rot. Bonds15

About 2-(pentadec-2-enoxymethyl)oxirane

2-(pentadec-2-enoxymethyl)oxirane (PubChem CID 175115833) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-(pentadec-2-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(pentadec-2-enoxymethyl)oxirane
PubChem CID175115833
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name2-(pentadec-2-enoxymethyl)oxirane
SMILESCCCCCCCCCCCCC=CCOCC1CO1
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-18-17-20-18/h13-14,18H,2-12,15-17H2,1H3
InChIKeyXUSJOFQRHKERQK-UHFFFAOYSA-N
XLogP5.27
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(pentadec-2-enoxymethyl)oxirane 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

2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
2-(oct-1-enoxymethyl)oxirane
CID 57286562
2-[[(E)-heptadec-1-enoxy]methyl]oxirane
CID 21225255
2-[[(Z)-octadec-9-enoxy]methyl]oxirane;1-[(Z)-octadec-9-enoxy]-3-octoxypropan-2-ol
CID 158034991
2-nonadec-10-enyloxirane
CID 54194145
2-(oxiran-2-ylmethoxymethyl)oxirane;pentyl (Z)-octadec-9-enoate
CID 174667937
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(icosa-1,3,5-trienoxymethyl)oxirane
CID 175287179

Frequently Asked Questions

What is the IUPAC name of 2-(pentadec-2-enoxymethyl)oxirane?
The IUPAC name of 2-(pentadec-2-enoxymethyl)oxirane (CID 175115833) is 2-(pentadec-2-enoxymethyl)oxirane.
What is the SMILES notation for 2-(pentadec-2-enoxymethyl)oxirane?
The canonical SMILES for 2-(pentadec-2-enoxymethyl)oxirane is CCCCCCCCCCCCC=CCOCC1CO1.
What is the InChIKey of 2-(pentadec-2-enoxymethyl)oxirane?
The InChIKey is XUSJOFQRHKERQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-18-17-20-18/h13-14,18H,2-12,15-17H2,1H3.
What are the key properties of 2-(pentadec-2-enoxymethyl)oxirane?
2-(pentadec-2-enoxymethyl)oxirane has a molecular weight of 282.47 g/mol, XLogP of 5.27, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentadec-2-enoxymethyl)oxirane is sourced from PubChem (CID 175115833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).