sodium;hex-1-en-1-ol;hydride

C6H13NaO — CID 174682288

IUPACsodium;hex-1-en-1-ol;hydride
SMILESCCCCC=CO.[H-].[Na+]
InChIInChI=1S/C6H12O.Na.H/c1-2-3-4-5-6-7;;/h5-7H,2-4H2,1H3;;/q;+1;-1
InChIKeyAWYKHODQLKICNX-UHFFFAOYSA-N
MW124.16 g/mol
LogP-0.64
Rot. Bonds3

About sodium;hex-1-en-1-ol;hydride

sodium;hex-1-en-1-ol;hydride (PubChem CID 174682288) has the molecular formula C6H13NaO and a molecular weight of 124.16 g/mol. Its IUPAC name is sodium;hex-1-en-1-ol;hydride.

Molecular Properties

Compound Namesodium;hex-1-en-1-ol;hydride
PubChem CID174682288
Molecular FormulaC6H13NaO
Molecular Weight124.16 g/mol
Exact Mass124.09
IUPAC Namesodium;hex-1-en-1-ol;hydride
SMILESCCCCC=CO.[H-].[Na+]
InChIInChI=1S/C6H12O.Na.H/c1-2-3-4-5-6-7;;/h5-7H,2-4H2,1H3;;/q;+1;-1
InChIKeyAWYKHODQLKICNX-UHFFFAOYSA-N
XLogP-0.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

octadeca-1,13-dien-1-ol
CID 173121354
(1Z,7Z)-trideca-1,7-dien-1-ol
CID 175047617
(E)-pentacos-1-en-1-ol
CID 135335589
(Z)-pentadec-1-en-1-ol
CID 135331786
(1E)-octadeca-1,11-dien-1-ol
CID 138611647
acetic acid;tetradeca-1,9-dien-1-ol
CID 175076065
(1E)-octa-1,3-dien-1-ol
CID 154003406
acetic acid;hexadec-1-en-1-ol
CID 71357658
acetic acid;tetracos-1-en-1-ol
CID 71418206
hexadec-1-en-1-ol;sulfuric acid
CID 173403496
sodium;(E)-hept-1-ene-1,7-diol;hydride
CID 174548415
7-methyldodec-1-en-1-ol
CID 73437355

Frequently Asked Questions

What is the IUPAC name of sodium;hex-1-en-1-ol;hydride?
The IUPAC name of sodium;hex-1-en-1-ol;hydride (CID 174682288) is sodium;hex-1-en-1-ol;hydride.
What is the SMILES notation for sodium;hex-1-en-1-ol;hydride?
The canonical SMILES for sodium;hex-1-en-1-ol;hydride is CCCCC=CO.[H-].[Na+].
What is the InChIKey of sodium;hex-1-en-1-ol;hydride?
The InChIKey is AWYKHODQLKICNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.Na.H/c1-2-3-4-5-6-7;;/h5-7H,2-4H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hex-1-en-1-ol;hydride?
sodium;hex-1-en-1-ol;hydride has a molecular weight of 124.16 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hex-1-en-1-ol;hydride is sourced from PubChem (CID 174682288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).