sodium hex-5-en-1-olate

C6H11NaO — CID 23711651

IUPACsodium hex-5-en-1-olate
SMILESC=CCCCC[O-].[Na+]
InChIInChI=1S/C6H11O.Na/c1-2-3-4-5-6-7;/h2H,1,3-6H2;/q-1;+1
InChIKeyYHVYPYAIFVLXMV-UHFFFAOYSA-N
MW122.14 g/mol
LogP-2.29
Rot. Bonds4

About sodium hex-5-en-1-olate

sodium hex-5-en-1-olate (PubChem CID 23711651) has the molecular formula C6H11NaO and a molecular weight of 122.14 g/mol. Its IUPAC name is sodium hex-5-en-1-olate.

Molecular Properties

Compound Namesodium hex-5-en-1-olate
PubChem CID23711651
Molecular FormulaC6H11NaO
Molecular Weight122.14 g/mol
Exact Mass122.07
IUPAC Namesodium hex-5-en-1-olate
SMILESC=CCCCC[O-].[Na+]
InChIInChI=1S/C6H11O.Na/c1-2-3-4-5-6-7;/h2H,1,3-6H2;/q-1;+1
InChIKeyYHVYPYAIFVLXMV-UHFFFAOYSA-N
XLogP-2.29
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 5-2.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxy-1-hexene
CID 542269
Sodium pent-4-en-1-olate
CID 100998810
Pent-4-enyl hypofluorite
CID 151403757
Hept-6-enyl hypofluorite
CID 152246047
Hex-5-enyl hypofluorite
CID 152494992
6-Methylperoxyhex-1-ene
CID 20650120
Lithium pent-4-en-1-olate
CID 23663197
6-Ethenoxyhex-1-ene
CID 12111082
Hept-6-en-1-olate
CID 20653054
5-Fluoro-6-methanidyloxyhex-1-ene;rutherfordium
CID 59971639
Sodium hex-5-en-1-ol
CID 60070938
6-Hydroperoxyhex-1-ene
CID 86076946

Frequently Asked Questions

What is the IUPAC name of sodium hex-5-en-1-olate?
The IUPAC name of sodium hex-5-en-1-olate (CID 23711651) is sodium hex-5-en-1-olate.
What is the SMILES notation for sodium hex-5-en-1-olate?
The canonical SMILES for sodium hex-5-en-1-olate is C=CCCCC[O-].[Na+].
What is the InChIKey of sodium hex-5-en-1-olate?
The InChIKey is YHVYPYAIFVLXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O.Na/c1-2-3-4-5-6-7;/h2H,1,3-6H2;/q-1;+1.
What are the key properties of sodium hex-5-en-1-olate?
sodium hex-5-en-1-olate has a molecular weight of 122.14 g/mol, XLogP of -2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hex-5-en-1-olate is sourced from PubChem (CID 23711651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).