CID 59563062

C12H25BO2Si — CID 59563062

IUPAC—
SMILES[B]C1CC(O)C(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C12H25BO2Si/c1-12(2,3)16(4,5)15-8-9-6-10(13)7-11(9)14/h9-11,14H,6-8H2,1-5H3
InChIKeyVUGBISGRGWGDSP-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.74
Rot. Bonds3

About CID 59563062

CID 59563062 (PubChem CID 59563062) has the molecular formula C12H25BO2Si and a molecular weight of 240.23 g/mol.

Molecular Properties

Compound NameCID 59563062
PubChem CID59563062
Molecular FormulaC12H25BO2Si
Molecular Weight240.23 g/mol
Exact Mass240.17
IUPAC Name—
SMILES[B]C1CC(O)C(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C12H25BO2Si/c1-12(2,3)16(4,5)15-8-9-6-10(13)7-11(9)14/h9-11,14H,6-8H2,1-5H3
InChIKeyVUGBISGRGWGDSP-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 59563062?
The IUPAC name of CID 59563062 (CID 59563062) is not available.
What is the SMILES notation for CID 59563062?
The canonical SMILES for CID 59563062 is [B]C1CC(O)C(CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of CID 59563062?
The InChIKey is VUGBISGRGWGDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BO2Si/c1-12(2,3)16(4,5)15-8-9-6-10(13)7-11(9)14/h9-11,14H,6-8H2,1-5H3.
What are the key properties of CID 59563062?
CID 59563062 has a molecular weight of 240.23 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59563062 is sourced from PubChem (CID 59563062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).