butane;butan-1-ol

C8H20O — CID 19774960

IUPACbutane;butan-1-ol
SMILESCCCC.CCCCO
InChIInChI=1S/C4H10O.C4H10/c1-2-3-4-5;1-3-4-2/h5H,2-4H2,1H3;3-4H2,1-2H3
InChIKeyUQYLDSPQSDXWGK-UHFFFAOYSA-N
MW132.25 g/mol
LogP2.59
Rot. Bonds3

About butane;butan-1-ol

butane;butan-1-ol (PubChem CID 19774960) has the molecular formula C8H20O and a molecular weight of 132.25 g/mol. Its IUPAC name is butane;butan-1-ol.

Molecular Properties

Compound Namebutane;butan-1-ol
PubChem CID19774960
Molecular FormulaC8H20O
Molecular Weight132.25 g/mol
Exact Mass132.15
IUPAC Namebutane;butan-1-ol
SMILESCCCC.CCCCO
InChIInChI=1S/C4H10O.C4H10/c1-2-3-4-5;1-3-4-2/h5H,2-4H2,1H3;3-4H2,1-2H3
InChIKeyUQYLDSPQSDXWGK-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
sodium butan-1-ol
CID 19366054
butan-1-ol;nickel
CID 22477011
tris(butan-1-ol);zirconium
CID 25200102
butan-1-ol;cadmium
CID 154199105
butan-1-ol;methanol
CID 23065762
butan-1-ol;plumbane
CID 173408910
tetrakis(butan-1-ol);cerium
CID 87109841
pentakis(butan-1-ol);vanadium
CID 14228635
tris(butan-1-ol);titanium;bromide
CID 20523364
tetrakis(butan-1-ol);propane;titanium
CID 174520119

Frequently Asked Questions

What is the IUPAC name of butane;butan-1-ol?
The IUPAC name of butane;butan-1-ol (CID 19774960) is butane;butan-1-ol.
What is the SMILES notation for butane;butan-1-ol?
The canonical SMILES for butane;butan-1-ol is CCCC.CCCCO.
What is the InChIKey of butane;butan-1-ol?
The InChIKey is UQYLDSPQSDXWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C4H10/c1-2-3-4-5;1-3-4-2/h5H,2-4H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;butan-1-ol?
butane;butan-1-ol has a molecular weight of 132.25 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;butan-1-ol is sourced from PubChem (CID 19774960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).