2,2-dibutyloxirane

C10H20O — CID 14836302

IUPAC2,2-dibutyloxirane
SMILESCCCCC1(CCCC)CO1
InChIInChI=1S/C10H20O/c1-3-5-7-10(9-11-10)8-6-4-2/h3-9H2,1-2H3
InChIKeyHRFPBPXCSQCKCK-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.14
Rot. Bonds6

About 2,2-dibutyloxirane

2,2-dibutyloxirane (PubChem CID 14836302) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2,2-dibutyloxirane.

Molecular Properties

Compound Name2,2-dibutyloxirane
PubChem CID14836302
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2,2-dibutyloxirane
SMILESCCCCC1(CCCC)CO1
InChIInChI=1S/C10H20O/c1-3-5-7-10(9-11-10)8-6-4-2/h3-9H2,1-2H3
InChIKeyHRFPBPXCSQCKCK-UHFFFAOYSA-N
XLogP3.14
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclododecane, 1-methoxy-1-methyl-
CID 161949
Oxirane, 2,2-di-tert-pentyl-
CID 116367
2,2-Dipropyloxirane
CID 13411011
2-Methyl-2-pentyloxirane
CID 559073
1-Oxaspiro[2.7]decane
CID 13240757
3-((1,1-Dimethylethoxy)methyl)heptane
CID 545858
1,2-Epoxy-8-methyldecane
CID 86091626
2-(2,2-Dimethylbutyl)-2,3-dimethyloxirane
CID 5743701
(2R)-2-methyl-2-pentyloxirane
CID 10080419
2-Methyl-2-nonyloxirane
CID 10932115
Oxirane, 3-butyl-2,2-dimethyl-
CID 10953528
1-Oxaspiro[2.11]tetradecane
CID 11019800

Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyloxirane?
The IUPAC name of 2,2-dibutyloxirane (CID 14836302) is 2,2-dibutyloxirane.
What is the SMILES notation for 2,2-dibutyloxirane?
The canonical SMILES for 2,2-dibutyloxirane is CCCCC1(CCCC)CO1.
What is the InChIKey of 2,2-dibutyloxirane?
The InChIKey is HRFPBPXCSQCKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-3-5-7-10(9-11-10)8-6-4-2/h3-9H2,1-2H3.
What are the key properties of 2,2-dibutyloxirane?
2,2-dibutyloxirane has a molecular weight of 156.27 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyloxirane is sourced from PubChem (CID 14836302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).