2-butan-2-yloxirane;methane

C8H20O — CID 161408982

IUPAC2-butan-2-yloxirane;methane
SMILESC.C.CCC(C)C1CO1
InChIInChI=1S/C6H12O.2CH4/c1-3-5(2)6-4-7-6;;/h5-6H,3-4H2,1-2H3;2*1H4
InChIKeyVVFKWFLTGYBDCX-UHFFFAOYSA-N
MW132.25 g/mol
LogP2.70
Rot. Bonds2

About 2-butan-2-yloxirane;methane

2-butan-2-yloxirane;methane (PubChem CID 161408982) has the molecular formula C8H20O and a molecular weight of 132.25 g/mol. Its IUPAC name is 2-butan-2-yloxirane;methane.

Molecular Properties

Compound Name2-butan-2-yloxirane;methane
PubChem CID161408982
Molecular FormulaC8H20O
Molecular Weight132.25 g/mol
Exact Mass132.15
IUPAC Name2-butan-2-yloxirane;methane
SMILESC.C.CCC(C)C1CO1
InChIInChI=1S/C6H12O.2CH4/c1-3-5(2)6-4-7-6;;/h5-6H,3-4H2,1-2H3;2*1H4
InChIKeyVVFKWFLTGYBDCX-UHFFFAOYSA-N
XLogP2.70
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.25
LogP ≤ 52.70
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

2-pentan-3-yloxirane
CID 22563957
(2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane
CID 123779064
CID 21034205
CID 21034205
2-[4-(ethyldisulfanyl)hexan-2-yl]oxirane
CID 167244542
2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 155062842
2-(1-bromo-2-methylbutyl)oxirane
CID 139703846
(2R,3S)-2-[(2R)-oxiran-2-yl]pentan-3-ol
CID 175884544
2-(1-fluoro-2-methylbutyl)oxirane
CID 139703850
(2R)-2-[(1R)-1-bromopropyl]oxirane
CID 86648813
(2S)-2-[(2R)-1-phenylpropan-2-yl]oxirane
CID 10487206
(2R)-2-[(2S)-butan-2-yl]morpholine
CID 57122298
2-butan-2-yl-3-ethyl-4-methyloxolane
CID 59936247

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxirane;methane?
The IUPAC name of 2-butan-2-yloxirane;methane (CID 161408982) is 2-butan-2-yloxirane;methane.
What is the SMILES notation for 2-butan-2-yloxirane;methane?
The canonical SMILES for 2-butan-2-yloxirane;methane is C.C.CCC(C)C1CO1.
What is the InChIKey of 2-butan-2-yloxirane;methane?
The InChIKey is VVFKWFLTGYBDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.2CH4/c1-3-5(2)6-4-7-6;;/h5-6H,3-4H2,1-2H3;2*1H4.
What are the key properties of 2-butan-2-yloxirane;methane?
2-butan-2-yloxirane;methane has a molecular weight of 132.25 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxirane;methane is sourced from PubChem (CID 161408982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).