CID 101122248

C15H27O3Si — CID 101122248

IUPAC—
SMILESCC(=O)O[C@H]1[CH][C@H]2C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C15H27O3Si/c1-10(16)17-13-8-11-7-12(13)14(9-11)18-19(5,6)15(2,3)4/h8,11-14H,7,9H2,1-6H3/t11-,12+,13+,14-/m1/s1
InChIKeyMIXKKQWPQYYQMP-ZOBORPQBSA-N
MW283.46 g/mol
LogP3.55
Rot. Bonds3

About CID 101122248

CID 101122248 (PubChem CID 101122248) has the molecular formula C15H27O3Si and a molecular weight of 283.46 g/mol.

Molecular Properties

Compound NameCID 101122248
PubChem CID101122248
Molecular FormulaC15H27O3Si
Molecular Weight283.46 g/mol
Exact Mass283.17
IUPAC Name—
SMILESCC(=O)O[C@H]1[CH][C@H]2C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C15H27O3Si/c1-10(16)17-13-8-11-7-12(13)14(9-11)18-19(5,6)15(2,3)4/h8,11-14H,7,9H2,1-6H3/t11-,12+,13+,14-/m1/s1
InChIKeyMIXKKQWPQYYQMP-ZOBORPQBSA-N
XLogP3.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101122248?
The IUPAC name of CID 101122248 (CID 101122248) is not available.
What is the SMILES notation for CID 101122248?
The canonical SMILES for CID 101122248 is CC(=O)O[C@H]1[CH][C@H]2C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C2.
What is the InChIKey of CID 101122248?
The InChIKey is MIXKKQWPQYYQMP-ZOBORPQBSA-N. The full InChI is InChI=1S/C15H27O3Si/c1-10(16)17-13-8-11-7-12(13)14(9-11)18-19(5,6)15(2,3)4/h8,11-14H,7,9H2,1-6H3/t11-,12+,13+,14-/m1/s1.
What are the key properties of CID 101122248?
CID 101122248 has a molecular weight of 283.46 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101122248 is sourced from PubChem (CID 101122248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).