2-[[(3Z,6Z)-dodeca-3,6-dienoxy]methyl]oxirane

C15H26O2 — CID 88534363

IUPAC2-[[(3Z,6Z)-dodeca-3,6-dienoxy]methyl]oxirane
SMILESCCCCC/C=C\C/C=C\CCOCC1CO1
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15-14-17-15/h6-7,9-10,15H,2-5,8,11-14H2,1H3/b7-6-,10-9-
InChIKeyFVDMZCJGBDPTFE-HZJYTTRNSA-N
MW238.37 g/mol
LogP3.87
Rot. Bonds11

About 2-[[(3Z,6Z)-dodeca-3,6-dienoxy]methyl]oxirane

2-[[(3Z,6Z)-dodeca-3,6-dienoxy]methyl]oxirane (PubChem CID 88534363) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[[(3Z,6Z)-dodeca-3,6-dienoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[(3Z,6Z)-dodeca-3,6-dienoxy]methyl]oxirane
PubChem CID88534363
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[[(3Z,6Z)-dodeca-3,6-dienoxy]methyl]oxirane
SMILESCCCCC/C=C\C/C=C\CCOCC1CO1
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15-14-17-15/h6-7,9-10,15H,2-5,8,11-14H2,1H3/b7-6-,10-9-
InChIKeyFVDMZCJGBDPTFE-HZJYTTRNSA-N
XLogP3.87
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.87
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-[[(3Z,6Z)-dodeca-3,6-dienoxy]methyl]oxirane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(3Z,6Z)-dodeca-3,6-dienoxy]methyl]oxirane?
The IUPAC name of 2-[[(3Z,6Z)-dodeca-3,6-dienoxy]methyl]oxirane (CID 88534363) is 2-[[(3Z,6Z)-dodeca-3,6-dienoxy]methyl]oxirane.
What is the SMILES notation for 2-[[(3Z,6Z)-dodeca-3,6-dienoxy]methyl]oxirane?
The canonical SMILES for 2-[[(3Z,6Z)-dodeca-3,6-dienoxy]methyl]oxirane is CCCCC/C=C\C/C=C\CCOCC1CO1.
What is the InChIKey of 2-[[(3Z,6Z)-dodeca-3,6-dienoxy]methyl]oxirane?
The InChIKey is FVDMZCJGBDPTFE-HZJYTTRNSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15-14-17-15/h6-7,9-10,15H,2-5,8,11-14H2,1H3/b7-6-,10-9-.
What are the key properties of 2-[[(3Z,6Z)-dodeca-3,6-dienoxy]methyl]oxirane?
2-[[(3Z,6Z)-dodeca-3,6-dienoxy]methyl]oxirane has a molecular weight of 238.37 g/mol, XLogP of 3.87, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3Z,6Z)-dodeca-3,6-dienoxy]methyl]oxirane is sourced from PubChem (CID 88534363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).