2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid)

C17H30O6Sn — CID 173132844

IUPAC2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.CCCCC(CC)C[SnH]
InChIInChI=1S/C8H17.3C3H4O2.Sn.H/c1-4-6-7-8(3)5-2;3*1-2-3(4)5;;/h8H,3-7H2,1-2H3;3*2H,1H2,(H,4,5);;
InChIKeyAXMCEECKZDFACU-UHFFFAOYSA-N
MW449.13 g/mol
LogP3.29
Rot. Bonds8

About 2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid)

2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid) (PubChem CID 173132844) has the molecular formula C17H30O6Sn and a molecular weight of 449.13 g/mol. Its IUPAC name is 2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid).

Molecular Properties

Compound Name2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid)
PubChem CID173132844
Molecular FormulaC17H30O6Sn
Molecular Weight449.13 g/mol
Exact Mass450.11
IUPAC Name2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.CCCCC(CC)C[SnH]
InChIInChI=1S/C8H17.3C3H4O2.Sn.H/c1-4-6-7-8(3)5-2;3*1-2-3(4)5;;/h8H,3-7H2,1-2H3;3*2H,1H2,(H,4,5);;
InChIKeyAXMCEECKZDFACU-UHFFFAOYSA-N
XLogP3.29
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.13
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid)?
The IUPAC name of 2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid) (CID 173132844) is 2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid).
What is the SMILES notation for 2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid)?
The canonical SMILES for 2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid) is C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.CCCCC(CC)C[SnH].
What is the InChIKey of 2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid)?
The InChIKey is AXMCEECKZDFACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17.3C3H4O2.Sn.H/c1-4-6-7-8(3)5-2;3*1-2-3(4)5;;/h8H,3-7H2,1-2H3;3*2H,1H2,(H,4,5);;.
What are the key properties of 2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid)?
2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid) has a molecular weight of 449.13 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid) is sourced from PubChem (CID 173132844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).