sodium;(E)-hept-1-ene-1,7-diol;hydride

C7H15NaO2 — CID 174548415

IUPACsodium;(E)-hept-1-ene-1,7-diol;hydride
SMILESO/C=C/CCCCCO.[H-].[Na+]
InChIInChI=1S/C7H14O2.Na.H/c8-6-4-2-1-3-5-7-9;;/h4,6,8-9H,1-3,5,7H2;;/q;+1;-1/b6-4+;;
InChIKeyOERUSBRBYVIEJL-SLNOCBGISA-N
MW154.19 g/mol
LogP-1.27
Rot. Bonds5

About sodium;(E)-hept-1-ene-1,7-diol;hydride

sodium;(E)-hept-1-ene-1,7-diol;hydride (PubChem CID 174548415) has the molecular formula C7H15NaO2 and a molecular weight of 154.19 g/mol. Its IUPAC name is sodium;(E)-hept-1-ene-1,7-diol;hydride.

Molecular Properties

Compound Namesodium;(E)-hept-1-ene-1,7-diol;hydride
PubChem CID174548415
Molecular FormulaC7H15NaO2
Molecular Weight154.19 g/mol
Exact Mass154.10
IUPAC Namesodium;(E)-hept-1-ene-1,7-diol;hydride
SMILESO/C=C/CCCCCO.[H-].[Na+]
InChIInChI=1S/C7H14O2.Na.H/c8-6-4-2-1-3-5-7-9;;/h4,6,8-9H,1-3,5,7H2;;/q;+1;-1/b6-4+;;
InChIKeyOERUSBRBYVIEJL-SLNOCBGISA-N
XLogP-1.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(E)-hexadec-1-ene-1,16-diol
CID 57427575
heptadec-1-ene-1,17-diol
CID 142730253
hexadec-8-ene-1,16-diol
CID 54395986
(7Z,11Z)-octadeca-7,11-diene-1,18-diol
CID 171904791
disodium;hydride;octadec-9-en-1-ol
CID 173039862
(E)-pentacos-1-en-1-ol
CID 135335589
sodium;hex-1-en-1-ol;hydride
CID 174682288
8-chlorooct-7-en-1-ol
CID 57208021
(Z)-pentadec-1-en-1-ol
CID 135331786
octadeca-9,17-dien-1-ol
CID 78409331
(Z)-hexadec-13-en-1-ol
CID 6431331
hexacos-23-en-1-ol
CID 74976819

Frequently Asked Questions

What is the IUPAC name of sodium;(E)-hept-1-ene-1,7-diol;hydride?
The IUPAC name of sodium;(E)-hept-1-ene-1,7-diol;hydride (CID 174548415) is sodium;(E)-hept-1-ene-1,7-diol;hydride.
What is the SMILES notation for sodium;(E)-hept-1-ene-1,7-diol;hydride?
The canonical SMILES for sodium;(E)-hept-1-ene-1,7-diol;hydride is O/C=C/CCCCCO.[H-].[Na+].
What is the InChIKey of sodium;(E)-hept-1-ene-1,7-diol;hydride?
The InChIKey is OERUSBRBYVIEJL-SLNOCBGISA-N. The full InChI is InChI=1S/C7H14O2.Na.H/c8-6-4-2-1-3-5-7-9;;/h4,6,8-9H,1-3,5,7H2;;/q;+1;-1/b6-4+;;.
What are the key properties of sodium;(E)-hept-1-ene-1,7-diol;hydride?
sodium;(E)-hept-1-ene-1,7-diol;hydride has a molecular weight of 154.19 g/mol, XLogP of -1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(E)-hept-1-ene-1,7-diol;hydride is sourced from PubChem (CID 174548415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).