CID 10952040

C20H23O3Sn — CID 10952040

IUPAC—
SMILESCC1(C)OC(=O)C(CCC[Sn](c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C8H13O3.2C6H5.Sn/c1-4-5-6-7(9)11-8(2,3)10-6;2*1-2-4-6-5-3-1;/h6H,1,4-5H2,2-3H3;2*1-5H;
InChIKeyCIROTGIMVUYTKR-UHFFFAOYSA-N
MW430.11 g/mol
LogP2.75
Rot. Bonds6

About CID 10952040

CID 10952040 (PubChem CID 10952040) has the molecular formula C20H23O3Sn and a molecular weight of 430.11 g/mol.

Molecular Properties

Compound NameCID 10952040
PubChem CID10952040
Molecular FormulaC20H23O3Sn
Molecular Weight430.11 g/mol
Exact Mass431.07
IUPAC Name—
SMILESCC1(C)OC(=O)C(CCC[Sn](c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C8H13O3.2C6H5.Sn/c1-4-5-6-7(9)11-8(2,3)10-6;2*1-2-4-6-5-3-1;/h6H,1,4-5H2,2-3H3;2*1-5H;
InChIKeyCIROTGIMVUYTKR-UHFFFAOYSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.11
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-1-hydroxyethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
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CID 22639903
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CID 130647616
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Frequently Asked Questions

What is the IUPAC name of CID 10952040?
The IUPAC name of CID 10952040 (CID 10952040) is not available.
What is the SMILES notation for CID 10952040?
The canonical SMILES for CID 10952040 is CC1(C)OC(=O)C(CCC[Sn](c2ccccc2)c2ccccc2)O1.
What is the InChIKey of CID 10952040?
The InChIKey is CIROTGIMVUYTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O3.2C6H5.Sn/c1-4-5-6-7(9)11-8(2,3)10-6;2*1-2-4-6-5-3-1;/h6H,1,4-5H2,2-3H3;2*1-5H;.
What are the key properties of CID 10952040?
CID 10952040 has a molecular weight of 430.11 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10952040 is sourced from PubChem (CID 10952040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).