2-(2,2-dipentylheptyl)oxirane

C19H38O — CID 142689827

IUPAC2-(2,2-dipentylheptyl)oxirane
SMILESCCCCCC(CCCCC)(CCCCC)CC1CO1
InChIInChI=1S/C19H38O/c1-4-7-10-13-19(14-11-8-5-2,15-12-9-6-3)16-18-17-20-18/h18H,4-17H2,1-3H3
InChIKeyOOKDWYKAGQMWKT-UHFFFAOYSA-N
MW282.51 g/mol
LogP6.50
Rot. Bonds14

About 2-(2,2-dipentylheptyl)oxirane

2-(2,2-dipentylheptyl)oxirane (PubChem CID 142689827) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is 2-(2,2-dipentylheptyl)oxirane.

Molecular Properties

Compound Name2-(2,2-dipentylheptyl)oxirane
PubChem CID142689827
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name2-(2,2-dipentylheptyl)oxirane
SMILESCCCCCC(CCCCC)(CCCCC)CC1CO1
InChIInChI=1S/C19H38O/c1-4-7-10-13-19(14-11-8-5-2,15-12-9-6-3)16-18-17-20-18/h18H,4-17H2,1-3H3
InChIKeyOOKDWYKAGQMWKT-UHFFFAOYSA-N
XLogP6.50
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 56.50
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-(2,2-dipentylheptyl)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

azane;2-(2,2-dimethyltritriacontyl)oxirane
CID 174889957
2-[2,2-bis(oxiran-2-ylmethyl)butyl]oxirane
CID 140676181
6,6-dipentylundecane
CID 19690398
(2R)-2-pentyloxirane
CID 11147691
ethane;2-ethyloxirane;hexane
CID 91113410
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-tetratetracontyloxirane
CID 102093754
2-hexadecyloxirane;tetradecane
CID 174899291

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dipentylheptyl)oxirane?
The IUPAC name of 2-(2,2-dipentylheptyl)oxirane (CID 142689827) is 2-(2,2-dipentylheptyl)oxirane.
What is the SMILES notation for 2-(2,2-dipentylheptyl)oxirane?
The canonical SMILES for 2-(2,2-dipentylheptyl)oxirane is CCCCCC(CCCCC)(CCCCC)CC1CO1.
What is the InChIKey of 2-(2,2-dipentylheptyl)oxirane?
The InChIKey is OOKDWYKAGQMWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O/c1-4-7-10-13-19(14-11-8-5-2,15-12-9-6-3)16-18-17-20-18/h18H,4-17H2,1-3H3.
What are the key properties of 2-(2,2-dipentylheptyl)oxirane?
2-(2,2-dipentylheptyl)oxirane has a molecular weight of 282.51 g/mol, XLogP of 6.50, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dipentylheptyl)oxirane is sourced from PubChem (CID 142689827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).