CID 100943495

C9H21O4Sn — CID 100943495

IUPAC—
SMILESCOC(=O)C[CH][C@@H]1COC(C)(C)O1.[H][H].[H][H].[H][H].[Sn]
InChIInChI=1S/C9H15O4.Sn.3H2/c1-9(2)12-6-7(13-9)4-5-8(10)11-3;;;;/h4,7H,5-6H2,1-3H3;;3*1H/t7-;;;;/m1..../s1
InChIKeyALXZTQAWCOCDMY-GITXNKFESA-N
MW311.97 g/mol
LogP1.26
Rot. Bonds3

About CID 100943495

CID 100943495 (PubChem CID 100943495) has the molecular formula C9H21O4Sn and a molecular weight of 311.97 g/mol.

Molecular Properties

Compound NameCID 100943495
PubChem CID100943495
Molecular FormulaC9H21O4Sn
Molecular Weight311.97 g/mol
Exact Mass313.05
IUPAC Name—
SMILESCOC(=O)C[CH][C@@H]1COC(C)(C)O1.[H][H].[H][H].[H][H].[Sn]
InChIInChI=1S/C9H15O4.Sn.3H2/c1-9(2)12-6-7(13-9)4-5-8(10)11-3;;;;/h4,7H,5-6H2,1-3H3;;3*1H/t7-;;;;/m1..../s1
InChIKeyALXZTQAWCOCDMY-GITXNKFESA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.97
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 100943495?
The IUPAC name of CID 100943495 (CID 100943495) is not available.
What is the SMILES notation for CID 100943495?
The canonical SMILES for CID 100943495 is COC(=O)C[CH][C@@H]1COC(C)(C)O1.[H][H].[H][H].[H][H].[Sn].
What is the InChIKey of CID 100943495?
The InChIKey is ALXZTQAWCOCDMY-GITXNKFESA-N. The full InChI is InChI=1S/C9H15O4.Sn.3H2/c1-9(2)12-6-7(13-9)4-5-8(10)11-3;;;;/h4,7H,5-6H2,1-3H3;;3*1H/t7-;;;;/m1..../s1.
What are the key properties of CID 100943495?
CID 100943495 has a molecular weight of 311.97 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100943495 is sourced from PubChem (CID 100943495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).