λ2-plumbane;6-methylheptanoic acid

C8H18O2Pb — CID 175289081

IUPACλ2-plumbane;6-methylheptanoic acid
SMILESCC(C)CCCCC(=O)O.[PbH2]
InChIInChI=1S/C8H16O2.Pb.2H/c1-7(2)5-3-4-6-8(9)10;;;/h7H,3-6H2,1-2H3,(H,9,10);;;
InChIKeyIFXAJTPSZSIWHL-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.37
Rot. Bonds5

About λ2-plumbane;6-methylheptanoic acid

λ2-plumbane;6-methylheptanoic acid (PubChem CID 175289081) has the molecular formula C8H18O2Pb and a molecular weight of 353.43 g/mol. Its IUPAC name is λ2-plumbane;6-methylheptanoic acid.

Molecular Properties

Compound Nameλ2-plumbane;6-methylheptanoic acid
PubChem CID175289081
Molecular FormulaC8H18O2Pb
Molecular Weight353.43 g/mol
Exact Mass354.11
IUPAC Nameλ2-plumbane;6-methylheptanoic acid
SMILESCC(C)CCCCC(=O)O.[PbH2]
InChIInChI=1S/C8H16O2.Pb.2H/c1-7(2)5-3-4-6-8(9)10;;;/h7H,3-6H2,1-2H3,(H,9,10);;;
InChIKeyIFXAJTPSZSIWHL-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-methylheptanoic acid;vanadium
CID 174623955
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 λ2-plumbane;6-methylheptanoic acid?
The IUPAC name of λ2-plumbane;6-methylheptanoic acid (CID 175289081) is λ2-plumbane;6-methylheptanoic acid.
What is the SMILES notation for λ2-plumbane;6-methylheptanoic acid?
The canonical SMILES for λ2-plumbane;6-methylheptanoic acid is CC(C)CCCCC(=O)O.[PbH2].
What is the InChIKey of λ2-plumbane;6-methylheptanoic acid?
The InChIKey is IFXAJTPSZSIWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.Pb.2H/c1-7(2)5-3-4-6-8(9)10;;;/h7H,3-6H2,1-2H3,(H,9,10);;;.
What are the key properties of λ2-plumbane;6-methylheptanoic acid?
λ2-plumbane;6-methylheptanoic acid has a molecular weight of 353.43 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for λ2-plumbane;6-methylheptanoic acid is sourced from PubChem (CID 175289081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).