tris(decanoic acid);methyl-λ2-stannane

C31H64O6Sn — CID 173077159

IUPACtris(decanoic acid);methyl-λ2-stannane
SMILESCCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.C[SnH]
InChIInChI=1S/3C10H20O2.CH3.Sn.H/c3*1-2-3-4-5-6-7-8-9-10(11)12;;;/h3*2-9H2,1H3,(H,11,12);1H3;;
InChIKeyVKGVXKBYQHAKSS-UHFFFAOYSA-N
MW651.56 g/mol
LogP9.57
Rot. Bonds24

About tris(decanoic acid);methyl-λ2-stannane

tris(decanoic acid);methyl-λ2-stannane (PubChem CID 173077159) has the molecular formula C31H64O6Sn and a molecular weight of 651.56 g/mol. Its IUPAC name is tris(decanoic acid);methyl-λ2-stannane.

Molecular Properties

Compound Nametris(decanoic acid);methyl-λ2-stannane
PubChem CID173077159
Molecular FormulaC31H64O6Sn
Molecular Weight651.56 g/mol
Exact Mass652.37
IUPAC Nametris(decanoic acid);methyl-λ2-stannane
SMILESCCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.C[SnH]
InChIInChI=1S/3C10H20O2.CH3.Sn.H/c3*1-2-3-4-5-6-7-8-9-10(11)12;;;/h3*2-9H2,1H3,(H,11,12);1H3;;
InChIKeyVKGVXKBYQHAKSS-UHFFFAOYSA-N
XLogP9.57
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.56
LogP ≤ 59.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of tris(decanoic acid);methyl-λ2-stannane?
The IUPAC name of tris(decanoic acid);methyl-λ2-stannane (CID 173077159) is tris(decanoic acid);methyl-λ2-stannane.
What is the SMILES notation for tris(decanoic acid);methyl-λ2-stannane?
The canonical SMILES for tris(decanoic acid);methyl-λ2-stannane is CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.C[SnH].
What is the InChIKey of tris(decanoic acid);methyl-λ2-stannane?
The InChIKey is VKGVXKBYQHAKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H20O2.CH3.Sn.H/c3*1-2-3-4-5-6-7-8-9-10(11)12;;;/h3*2-9H2,1H3,(H,11,12);1H3;;.
What are the key properties of tris(decanoic acid);methyl-λ2-stannane?
tris(decanoic acid);methyl-λ2-stannane has a molecular weight of 651.56 g/mol, XLogP of 9.57, 24 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(decanoic acid);methyl-λ2-stannane is sourced from PubChem (CID 173077159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).