sodium;hydride;6-methylheptanoic acid

C8H17NaO2 — CID 174475906

IUPACsodium;hydride;6-methylheptanoic acid
SMILESCC(C)CCCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C8H16O2.Na.H/c1-7(2)5-3-4-6-8(9)10;;/h7H,3-6H2,1-2H3,(H,9,10);;/q;+1;-1
InChIKeyDILHJHNXMFEPHM-UHFFFAOYSA-N
MW168.21 g/mol
LogP-0.60
Rot. Bonds5

About sodium;hydride;6-methylheptanoic acid

sodium;hydride;6-methylheptanoic acid (PubChem CID 174475906) has the molecular formula C8H17NaO2 and a molecular weight of 168.21 g/mol. Its IUPAC name is sodium;hydride;6-methylheptanoic acid.

Molecular Properties

Compound Namesodium;hydride;6-methylheptanoic acid
PubChem CID174475906
Molecular FormulaC8H17NaO2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Namesodium;hydride;6-methylheptanoic acid
SMILESCC(C)CCCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C8H16O2.Na.H/c1-7(2)5-3-4-6-8(9)10;;/h7H,3-6H2,1-2H3,(H,9,10);;/q;+1;-1
InChIKeyDILHJHNXMFEPHM-UHFFFAOYSA-N
XLogP-0.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze sodium;hydride;6-methylheptanoic acid 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

6-methylheptanoic acid;vanadium
CID 174623955
λ2-plumbane;6-methylheptanoic acid
CID 175289081
gadolinium;tris(6-methylheptanoic acid)
CID 176895771
16-methylheptadecanoic acid
CID 87200881
azane;16-methylheptadecanoic acid
CID 161380406
8-methylnonanoic acid;zinc
CID 175431403
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
iron;6-methylheptanoic acid;7-methyloctanoic acid
CID 56844011
12,17-dimethyloctadecanoic acid
CID 123475021
methoxymethane;16-methylheptadecanoic acid
CID 175921970
docosanoic acid;2-methylpentadecane
CID 161174634
16-methylheptadecanoic acid;tetradecane
CID 162095206

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;6-methylheptanoic acid?
The IUPAC name of sodium;hydride;6-methylheptanoic acid (CID 174475906) is sodium;hydride;6-methylheptanoic acid.
What is the SMILES notation for sodium;hydride;6-methylheptanoic acid?
The canonical SMILES for sodium;hydride;6-methylheptanoic acid is CC(C)CCCCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;6-methylheptanoic acid?
The InChIKey is DILHJHNXMFEPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.Na.H/c1-7(2)5-3-4-6-8(9)10;;/h7H,3-6H2,1-2H3,(H,9,10);;/q;+1;-1.
What are the key properties of sodium;hydride;6-methylheptanoic acid?
sodium;hydride;6-methylheptanoic acid has a molecular weight of 168.21 g/mol, XLogP of -0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;6-methylheptanoic acid is sourced from PubChem (CID 174475906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).