butan-1-ol;methanol

C5H14O2 — CID 22439470

IUPACbutan-1-ol;methanol
SMILESCCCCO.CO
InChIInChI=1S/C4H10O.CH4O/c1-2-3-4-5;1-2/h5H,2-4H2,1H3;2H,1H3
InChIKeyZWLQACFYTXLLEJ-UHFFFAOYSA-N
MW106.17 g/mol
LogP0.39
Rot. Bonds2

About butan-1-ol;methanol

butan-1-ol;methanol (PubChem CID 22439470) has the molecular formula C5H14O2 and a molecular weight of 106.17 g/mol. Its IUPAC name is butan-1-ol;methanol.

Molecular Properties

Compound Namebutan-1-ol;methanol
PubChem CID22439470
Molecular FormulaC5H14O2
Molecular Weight106.17 g/mol
Exact Mass106.10
IUPAC Namebutan-1-ol;methanol
SMILESCCCCO.CO
InChIInChI=1S/C4H10O.CH4O/c1-2-3-4-5;1-2/h5H,2-4H2,1H3;2H,1H3
InChIKeyZWLQACFYTXLLEJ-UHFFFAOYSA-N
XLogP0.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;methanol?
The IUPAC name of butan-1-ol;methanol (CID 22439470) is butan-1-ol;methanol.
What is the SMILES notation for butan-1-ol;methanol?
The canonical SMILES for butan-1-ol;methanol is CCCCO.CO.
What is the InChIKey of butan-1-ol;methanol?
The InChIKey is ZWLQACFYTXLLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.CH4O/c1-2-3-4-5;1-2/h5H,2-4H2,1H3;2H,1H3.
What are the key properties of butan-1-ol;methanol?
butan-1-ol;methanol has a molecular weight of 106.17 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;methanol is sourced from PubChem (CID 22439470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).