2-methoxybutane

C5H12O — CID 23238

IUPAC2-methoxybutane
SMILESCCC(C)OC
InChIInChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3
InChIKeyFVNIMHIOIXPIQT-UHFFFAOYSA-N
MW88.15 g/mol
LogP1.43
Rot. Bonds2

About 2-methoxybutane

2-methoxybutane (PubChem CID 23238) has the molecular formula C5H12O and a molecular weight of 88.15 g/mol. Its IUPAC name is 2-methoxybutane.

Molecular Properties

Compound Name2-methoxybutane
PubChem CID23238
Molecular FormulaC5H12O
Molecular Weight88.15 g/mol
Exact Mass88.09
IUPAC Name2-methoxybutane
SMILESCCC(C)OC
InChIInChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3
InChIKeyFVNIMHIOIXPIQT-UHFFFAOYSA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methoxybutane 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

Diisopropyl Ether
CID 7914
1,2-Epoxybutane
CID 7834
2-Ethoxybutane
CID 17586
Bis(2-butyl) ether
CID 23294
2-Butylene oxide
CID 18632
Methyl propyl ether
CID 11182
Ethyl isopropyl ether
CID 12256
Propane, 1-(1-methylethoxy)-
CID 12304
trans-2,3-Dimethyloxirane
CID 30664
cis-2,3-Epoxybutane
CID 92162
2-Methoxypropane
CID 11721
Propylene glycol dimethyl ether
CID 24509

Frequently Asked Questions

What is the IUPAC name of 2-methoxybutane?
The IUPAC name of 2-methoxybutane (CID 23238) is 2-methoxybutane.
What is the SMILES notation for 2-methoxybutane?
The canonical SMILES for 2-methoxybutane is CCC(C)OC.
What is the InChIKey of 2-methoxybutane?
The InChIKey is FVNIMHIOIXPIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3.
What are the key properties of 2-methoxybutane?
2-methoxybutane has a molecular weight of 88.15 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybutane is sourced from PubChem (CID 23238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).