sodium;hept-5-enoic acid;hydride

C7H13NaO2 — CID 174384913

IUPACsodium;hept-5-enoic acid;hydride
SMILESCC=CCCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C7H12O2.Na.H/c1-2-3-4-5-6-7(8)9;;/h2-3H,4-6H2,1H3,(H,8,9);;/q;+1;-1
InChIKeyIKNYWNFVTKTFMD-UHFFFAOYSA-N
MW152.17 g/mol
LogP-1.07
Rot. Bonds4

About sodium;hept-5-enoic acid;hydride

sodium;hept-5-enoic acid;hydride (PubChem CID 174384913) has the molecular formula C7H13NaO2 and a molecular weight of 152.17 g/mol. Its IUPAC name is sodium;hept-5-enoic acid;hydride.

Molecular Properties

Compound Namesodium;hept-5-enoic acid;hydride
PubChem CID174384913
Molecular FormulaC7H13NaO2
Molecular Weight152.17 g/mol
Exact Mass152.08
IUPAC Namesodium;hept-5-enoic acid;hydride
SMILESCC=CCCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C7H12O2.Na.H/c1-2-3-4-5-6-7(8)9;;/h2-3H,4-6H2,1H3,(H,8,9);;/q;+1;-1
InChIKeyIKNYWNFVTKTFMD-UHFFFAOYSA-N
XLogP-1.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze sodium;hept-5-enoic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E,7E)-nona-5,7-dienoic acid
CID 5312593
(16E)-octadeca-5,6,16-trienoic acid
CID 5312491
(Z)-dodec-5-enedioic acid
CID 86751837
(E)-hept-5-enamide
CID 18415105
pentadeca-5,10-dienoic acid
CID 535083
trideca-9,11-dienoic acid
CID 56613919
octacosa-20,23,26-trienoic acid
CID 169277364
sodium;hydride;(Z)-octadec-9-enoic acid
CID 172995005
sodium;hexadec-9-enoic acid;hydride
CID 172998914
nonacosa-21,24,27-trienoic acid
CID 169276996
henicosa-13,16,19-trienoic acid
CID 169277363
(12Z,14Z)-hexadeca-12,14-dienoic acid
CID 118342328

Frequently Asked Questions

What is the IUPAC name of sodium;hept-5-enoic acid;hydride?
The IUPAC name of sodium;hept-5-enoic acid;hydride (CID 174384913) is sodium;hept-5-enoic acid;hydride.
What is the SMILES notation for sodium;hept-5-enoic acid;hydride?
The canonical SMILES for sodium;hept-5-enoic acid;hydride is CC=CCCCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hept-5-enoic acid;hydride?
The InChIKey is IKNYWNFVTKTFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.Na.H/c1-2-3-4-5-6-7(8)9;;/h2-3H,4-6H2,1H3,(H,8,9);;/q;+1;-1.
What are the key properties of sodium;hept-5-enoic acid;hydride?
sodium;hept-5-enoic acid;hydride has a molecular weight of 152.17 g/mol, XLogP of -1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hept-5-enoic acid;hydride is sourced from PubChem (CID 174384913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).