sodium;but-3-en-1-ol;hydride

C4H9NaO — CID 174719957

IUPACsodium;but-3-en-1-ol;hydride
SMILESC=CCCO.[H-].[Na+]
InChIInChI=1S/C4H8O.Na.H/c1-2-3-4-5;;/h2,5H,1,3-4H2;;/q;+1;-1
InChIKeyZBPNEMKENQZVKD-UHFFFAOYSA-N
MW96.10 g/mol
LogP-2.33
Rot. Bonds2

About sodium;but-3-en-1-ol;hydride

sodium;but-3-en-1-ol;hydride (PubChem CID 174719957) has the molecular formula C4H9NaO and a molecular weight of 96.10 g/mol. Its IUPAC name is sodium;but-3-en-1-ol;hydride.

Molecular Properties

Compound Namesodium;but-3-en-1-ol;hydride
PubChem CID174719957
Molecular FormulaC4H9NaO
Molecular Weight96.10 g/mol
Exact Mass96.06
IUPAC Namesodium;but-3-en-1-ol;hydride
SMILESC=CCCO.[H-].[Na+]
InChIInChI=1S/C4H8O.Na.H/c1-2-3-4-5;;/h2,5H,1,3-4H2;;/q;+1;-1
InChIKeyZBPNEMKENQZVKD-UHFFFAOYSA-N
XLogP-2.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.10
LogP ≤ 5-2.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;but-3-en-1-ol;hydride?
The IUPAC name of sodium;but-3-en-1-ol;hydride (CID 174719957) is sodium;but-3-en-1-ol;hydride.
What is the SMILES notation for sodium;but-3-en-1-ol;hydride?
The canonical SMILES for sodium;but-3-en-1-ol;hydride is C=CCCO.[H-].[Na+].
What is the InChIKey of sodium;but-3-en-1-ol;hydride?
The InChIKey is ZBPNEMKENQZVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.Na.H/c1-2-3-4-5;;/h2,5H,1,3-4H2;;/q;+1;-1.
What are the key properties of sodium;but-3-en-1-ol;hydride?
sodium;but-3-en-1-ol;hydride has a molecular weight of 96.10 g/mol, XLogP of -2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;but-3-en-1-ol;hydride is sourced from PubChem (CID 174719957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).