1-methoxy-2-methylbutane

C6H13O- — CID 123433136

IUPAC1-methoxy-2-methylbutane
SMILESCCC(C)[CH-]OC
InChIInChI=1S/C6H13O/c1-4-6(2)5-7-3/h5-6H,4H2,1-3H3/q-1
InChIKeyGBAOYBYHFSKUME-UHFFFAOYSA-N
MW101.17 g/mol
LogP1.84
Rot. Bonds3

About 1-methoxy-2-methylbutane

1-methoxy-2-methylbutane (PubChem CID 123433136) has the molecular formula C6H13O- and a molecular weight of 101.17 g/mol. Its IUPAC name is 1-methoxy-2-methylbutane.

Molecular Properties

Compound Name1-methoxy-2-methylbutane
PubChem CID123433136
Molecular FormulaC6H13O-
Molecular Weight101.17 g/mol
Exact Mass101.10
IUPAC Name1-methoxy-2-methylbutane
SMILESCCC(C)[CH-]OC
InChIInChI=1S/C6H13O/c1-4-6(2)5-7-3/h5-6H,4H2,1-3H3/q-1
InChIKeyGBAOYBYHFSKUME-UHFFFAOYSA-N
XLogP1.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethylbutane;2,3-dimethylpentane;methanethiol
CID 171505915
carbanide;3-methylpentane;zirconium(3+)
CID 23519259
ethane;3-methylpentane;tungsten(2+)
CID 161154116
2,5-dimethylheptane
CID 90751376
2,3-dimethylpentane;ethane;methane
CID 143379754
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
methane;2-methoxybutane
CID 162124465
2-deuterio-2-methoxybutane
CID 59893079
(3R)-2,3-dimethylpentane;ethane;ethene
CID 178131669
cyclobutane;2,3-dimethylpentane
CID 145154125
2-methylbutane
CID 158117812

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylbutane?
The IUPAC name of 1-methoxy-2-methylbutane (CID 123433136) is 1-methoxy-2-methylbutane.
What is the SMILES notation for 1-methoxy-2-methylbutane?
The canonical SMILES for 1-methoxy-2-methylbutane is CCC(C)[CH-]OC.
What is the InChIKey of 1-methoxy-2-methylbutane?
The InChIKey is GBAOYBYHFSKUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O/c1-4-6(2)5-7-3/h5-6H,4H2,1-3H3/q-1.
What are the key properties of 1-methoxy-2-methylbutane?
1-methoxy-2-methylbutane has a molecular weight of 101.17 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylbutane is sourced from PubChem (CID 123433136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).