2-hexatetracontyloxirane

C48H96O — CID 102093756

IUPAC2-hexatetracontyloxirane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1CO1
InChIInChI=1S/C48H96O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-48-47-49-48/h48H,2-47H2,1H3
InChIKeySRTXDSISBDIOBC-UHFFFAOYSA-N
MW689.29 g/mol
LogP17.96
Rot. Bonds45

About 2-hexatetracontyloxirane

2-hexatetracontyloxirane (PubChem CID 102093756) has the molecular formula C48H96O and a molecular weight of 689.29 g/mol. Its IUPAC name is 2-hexatetracontyloxirane.

Molecular Properties

Compound Name2-hexatetracontyloxirane
PubChem CID102093756
Molecular FormulaC48H96O
Molecular Weight689.29 g/mol
Exact Mass688.75
IUPAC Name2-hexatetracontyloxirane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1CO1
InChIInChI=1S/C48H96O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-48-47-49-48/h48H,2-47H2,1H3
InChIKeySRTXDSISBDIOBC-UHFFFAOYSA-N
XLogP17.96
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds45
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.29
LogP ≤ 517.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-hexatetracontyloxirane 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-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
(2R)-2-pentyloxirane
CID 11147691
ethene;2-hexadecyloxirane
CID 174880180
2-hexadecyloxirane;oxirane
CID 175319175
2-(4-dodecoxybutyl)oxirane
CID 22900888
2-nonadec-10-enyloxirane
CID 54194145
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674

Frequently Asked Questions

What is the IUPAC name of 2-hexatetracontyloxirane?
The IUPAC name of 2-hexatetracontyloxirane (CID 102093756) is 2-hexatetracontyloxirane.
What is the SMILES notation for 2-hexatetracontyloxirane?
The canonical SMILES for 2-hexatetracontyloxirane is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1CO1.
What is the InChIKey of 2-hexatetracontyloxirane?
The InChIKey is SRTXDSISBDIOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H96O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-48-47-49-48/h48H,2-47H2,1H3.
What are the key properties of 2-hexatetracontyloxirane?
2-hexatetracontyloxirane has a molecular weight of 689.29 g/mol, XLogP of 17.96, 45 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexatetracontyloxirane is sourced from PubChem (CID 102093756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).