6-methylheptanoic acid;vanadium

C8H16O2V — CID 174623955

IUPAC6-methylheptanoic acid;vanadium
SMILESCC(C)CCCCC(=O)O.[V]
InChIInChI=1S/C8H16O2.V/c1-7(2)5-3-4-6-8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);
InChIKeyNSIBJVYKSJPVII-UHFFFAOYSA-N
MW195.16 g/mol
LogP2.28
Rot. Bonds5

About 6-methylheptanoic acid;vanadium

6-methylheptanoic acid;vanadium (PubChem CID 174623955) has the molecular formula C8H16O2V and a molecular weight of 195.16 g/mol. Its IUPAC name is 6-methylheptanoic acid;vanadium.

Molecular Properties

Compound Name6-methylheptanoic acid;vanadium
PubChem CID174623955
Molecular FormulaC8H16O2V
Molecular Weight195.16 g/mol
Exact Mass195.06
IUPAC Name6-methylheptanoic acid;vanadium
SMILESCC(C)CCCCC(=O)O.[V]
InChIInChI=1S/C8H16O2.V/c1-7(2)5-3-4-6-8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);
InChIKeyNSIBJVYKSJPVII-UHFFFAOYSA-N
XLogP2.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-methylheptanoic acid;vanadium 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

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
sodium;hydride;6-methylheptanoic acid
CID 174475906
methoxymethane;16-methylheptadecanoic acid
CID 175921970
12,17-dimethyloctadecanoic acid
CID 123475021
2,2-bis(hydroxymethyl)propane-1,3-diol;tetrakis(6-methylheptanoic acid)
CID 173062766
docosanoic acid;2-methylpentadecane
CID 161174634

Frequently Asked Questions

What is the IUPAC name of 6-methylheptanoic acid;vanadium?
The IUPAC name of 6-methylheptanoic acid;vanadium (CID 174623955) is 6-methylheptanoic acid;vanadium.
What is the SMILES notation for 6-methylheptanoic acid;vanadium?
The canonical SMILES for 6-methylheptanoic acid;vanadium is CC(C)CCCCC(=O)O.[V].
What is the InChIKey of 6-methylheptanoic acid;vanadium?
The InChIKey is NSIBJVYKSJPVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.V/c1-7(2)5-3-4-6-8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);.
What are the key properties of 6-methylheptanoic acid;vanadium?
6-methylheptanoic acid;vanadium has a molecular weight of 195.16 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylheptanoic acid;vanadium is sourced from PubChem (CID 174623955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).