CID 11237124

C15H30IO2Sn — CID 11237124

IUPAC—
SMILESCCCC[Sn](CCCC)CCCC.O=C(O)/C=C\I
InChIInChI=1S/3C4H9.C3H3IO2.Sn/c3*1-3-4-2;4-2-1-3(5)6;/h3*1,3-4H2,2H3;1-2H,(H,5,6);/b;;;2-1-;
InChIKeyXIBFYRRTVSCPSZ-VGIZJSQRSA-N
MW488.02 g/mol
LogP5.90
Rot. Bonds10

About CID 11237124

CID 11237124 (PubChem CID 11237124) has the molecular formula C15H30IO2Sn and a molecular weight of 488.02 g/mol.

Molecular Properties

Compound NameCID 11237124
PubChem CID11237124
Molecular FormulaC15H30IO2Sn
Molecular Weight488.02 g/mol
Exact Mass489.03
IUPAC Name—
SMILESCCCC[Sn](CCCC)CCCC.O=C(O)/C=C\I
InChIInChI=1S/3C4H9.C3H3IO2.Sn/c3*1-3-4-2;4-2-1-3(5)6;/h3*1,3-4H2,2H3;1-2H,(H,5,6);/b;;;2-1-;
InChIKeyXIBFYRRTVSCPSZ-VGIZJSQRSA-N
XLogP5.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.02
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 6328545
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CID 6338091
but-2-enedioic acid;undecane
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but-2-enoic acid;tetracosane
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CID 6327904
CID 6327904
CID 6374952
CID 6374952
bis(butan-1-amine);(E)-but-2-enedioic acid
CID 173276873
butan-1-amine;(Z)-but-2-enedioic acid
CID 173351096
(Z)-4-butoxy-4-oxobut-2-enoic acid
CID 175730618
CID 173415754
CID 173415754
CID 161036779
CID 161036779

Frequently Asked Questions

What is the IUPAC name of CID 11237124?
The IUPAC name of CID 11237124 (CID 11237124) is not available.
What is the SMILES notation for CID 11237124?
The canonical SMILES for CID 11237124 is CCCC[Sn](CCCC)CCCC.O=C(O)/C=C\I.
What is the InChIKey of CID 11237124?
The InChIKey is XIBFYRRTVSCPSZ-VGIZJSQRSA-N. The full InChI is InChI=1S/3C4H9.C3H3IO2.Sn/c3*1-3-4-2;4-2-1-3(5)6;/h3*1,3-4H2,2H3;1-2H,(H,5,6);/b;;;2-1-;.
What are the key properties of CID 11237124?
CID 11237124 has a molecular weight of 488.02 g/mol, XLogP of 5.90, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11237124 is sourced from PubChem (CID 11237124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).