ethane;2-methyl-3-(2-methylbutyl)oxirane

C10H22O — CID 143374675

IUPACethane;2-methyl-3-(2-methylbutyl)oxirane
SMILESCC.CCC(C)CC1OC1C
InChIInChI=1S/C8H16O.C2H6/c1-4-6(2)5-8-7(3)9-8;1-2/h6-8H,4-5H2,1-3H3;1-2H3
InChIKeyDXPVOUDQMHWBDB-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds3

About ethane;2-methyl-3-(2-methylbutyl)oxirane

ethane;2-methyl-3-(2-methylbutyl)oxirane (PubChem CID 143374675) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is ethane;2-methyl-3-(2-methylbutyl)oxirane.

Molecular Properties

Compound Nameethane;2-methyl-3-(2-methylbutyl)oxirane
PubChem CID143374675
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Nameethane;2-methyl-3-(2-methylbutyl)oxirane
SMILESCC.CCC(C)CC1OC1C
InChIInChI=1S/C8H16O.C2H6/c1-4-6(2)5-8-7(3)9-8;1-2/h6-8H,4-5H2,1-3H3;1-2H3
InChIKeyDXPVOUDQMHWBDB-UHFFFAOYSA-N
XLogP3.24
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.24
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-(2-methylbutyl)oxirane
CID 534610
ethane;3-methylpentane
CID 91147782
1-methyl-2-(2-methylbutyl)cyclopropane
CID 91076617
ethane;[(2S)-2-methylbutyl]cyclopropane;molecular hydrogen
CID 145112018
(3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one
CID 163073070
2-(5-ethyl-2,6-dimethylheptyl)-3-methoxyoxirane
CID 123987895
3,5-dimethylheptane;ethane
CID 172617343
(2S,3S)-2-methyl-3-propyloxirane
CID 22844896
2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]butyl]oxirane
CID 83929718
ethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane
CID 144507767
2-methyl-6-(3-methyloxiran-2-yl)hex-4-en-1-ol
CID 91084662
methane;3-methylpentane
CID 157218592

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3-(2-methylbutyl)oxirane?
The IUPAC name of ethane;2-methyl-3-(2-methylbutyl)oxirane (CID 143374675) is ethane;2-methyl-3-(2-methylbutyl)oxirane.
What is the SMILES notation for ethane;2-methyl-3-(2-methylbutyl)oxirane?
The canonical SMILES for ethane;2-methyl-3-(2-methylbutyl)oxirane is CC.CCC(C)CC1OC1C.
What is the InChIKey of ethane;2-methyl-3-(2-methylbutyl)oxirane?
The InChIKey is DXPVOUDQMHWBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C2H6/c1-4-6(2)5-8-7(3)9-8;1-2/h6-8H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methyl-3-(2-methylbutyl)oxirane?
ethane;2-methyl-3-(2-methylbutyl)oxirane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3-(2-methylbutyl)oxirane is sourced from PubChem (CID 143374675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).