2-(4-dodecoxybutyl)oxirane

C18H36O2 — CID 22900888

IUPAC2-(4-dodecoxybutyl)oxirane
SMILESCCCCCCCCCCCCOCCCCC1CO1
InChIInChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-12-15-19-16-13-11-14-18-17-20-18/h18H,2-17H2,1H3
InChIKeyCDMABLZNNPBKGZ-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.49
Rot. Bonds16

About 2-(4-dodecoxybutyl)oxirane

2-(4-dodecoxybutyl)oxirane (PubChem CID 22900888) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 2-(4-dodecoxybutyl)oxirane.

Molecular Properties

Compound Name2-(4-dodecoxybutyl)oxirane
PubChem CID22900888
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name2-(4-dodecoxybutyl)oxirane
SMILESCCCCCCCCCCCCOCCCCC1CO1
InChIInChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-12-15-19-16-13-11-14-18-17-20-18/h18H,2-17H2,1H3
InChIKeyCDMABLZNNPBKGZ-UHFFFAOYSA-N
XLogP5.49
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-dodecoxybutyl)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-tetratetracontyloxirane
CID 102093754
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
2-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane
CID 177262218
(2R)-2-pentyloxirane
CID 11147691
trihexyl 4-(oxiran-2-yl)butyl silicate
CID 22098092
ethene;2-hexadecyloxirane
CID 174880180
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488

Frequently Asked Questions

What is the IUPAC name of 2-(4-dodecoxybutyl)oxirane?
The IUPAC name of 2-(4-dodecoxybutyl)oxirane (CID 22900888) is 2-(4-dodecoxybutyl)oxirane.
What is the SMILES notation for 2-(4-dodecoxybutyl)oxirane?
The canonical SMILES for 2-(4-dodecoxybutyl)oxirane is CCCCCCCCCCCCOCCCCC1CO1.
What is the InChIKey of 2-(4-dodecoxybutyl)oxirane?
The InChIKey is CDMABLZNNPBKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-12-15-19-16-13-11-14-18-17-20-18/h18H,2-17H2,1H3.
What are the key properties of 2-(4-dodecoxybutyl)oxirane?
2-(4-dodecoxybutyl)oxirane has a molecular weight of 284.48 g/mol, XLogP of 5.49, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dodecoxybutyl)oxirane is sourced from PubChem (CID 22900888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).