sodium butan-1-ol

C4H10NaO+ — CID 19366054

IUPACsodium butan-1-ol
SMILESCCCCO.[Na+]
InChIInChI=1S/C4H10O.Na/c1-2-3-4-5;/h5H,2-4H2,1H3;/q;+1
InChIKeyYQGWFQQEJANITK-UHFFFAOYSA-N
MW97.11 g/mol
LogP-2.22
Rot. Bonds2

About sodium butan-1-ol

sodium butan-1-ol (PubChem CID 19366054) has the molecular formula C4H10NaO+ and a molecular weight of 97.11 g/mol. Its IUPAC name is sodium butan-1-ol.

Molecular Properties

Compound Namesodium butan-1-ol
PubChem CID19366054
Molecular FormulaC4H10NaO+
Molecular Weight97.11 g/mol
Exact Mass97.06
IUPAC Namesodium butan-1-ol
SMILESCCCCO.[Na+]
InChIInChI=1S/C4H10O.Na/c1-2-3-4-5;/h5H,2-4H2,1H3;/q;+1
InChIKeyYQGWFQQEJANITK-UHFFFAOYSA-N
XLogP-2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.11
LogP ≤ 5-2.22
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
butan-1-ol;nickel
CID 22477011
butane;butan-1-ol
CID 19774960
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 sodium butan-1-ol?
The IUPAC name of sodium butan-1-ol (CID 19366054) is sodium butan-1-ol.
What is the SMILES notation for sodium butan-1-ol?
The canonical SMILES for sodium butan-1-ol is CCCCO.[Na+].
What is the InChIKey of sodium butan-1-ol?
The InChIKey is YQGWFQQEJANITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.Na/c1-2-3-4-5;/h5H,2-4H2,1H3;/q;+1.
What are the key properties of sodium butan-1-ol?
sodium butan-1-ol has a molecular weight of 97.11 g/mol, XLogP of -2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium butan-1-ol is sourced from PubChem (CID 19366054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).