CID 135009717

C11H21BO2Si — CID 135009717

IUPAC—
SMILES[B][C@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C11H21BO2Si/c1-11(2,3)15(4,5)13-8-9-6-7-10(12)14-9/h6-7,9-10H,8H2,1-5H3/t9-,10+/m0/s1
InChIKeyKXJZEBVHALDJOR-VHSXEESVSA-N
MW224.19 g/mol
LogP2.46
Rot. Bonds3

About CID 135009717

CID 135009717 (PubChem CID 135009717) has the molecular formula C11H21BO2Si and a molecular weight of 224.19 g/mol.

Molecular Properties

Compound NameCID 135009717
PubChem CID135009717
Molecular FormulaC11H21BO2Si
Molecular Weight224.19 g/mol
Exact Mass224.14
IUPAC Name—
SMILES[B][C@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C11H21BO2Si/c1-11(2,3)15(4,5)13-8-9-6-7-10(12)14-9/h6-7,9-10H,8H2,1-5H3/t9-,10+/m0/s1
InChIKeyKXJZEBVHALDJOR-VHSXEESVSA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 135009717?
The IUPAC name of CID 135009717 (CID 135009717) is not available.
What is the SMILES notation for CID 135009717?
The canonical SMILES for CID 135009717 is [B][C@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of CID 135009717?
The InChIKey is KXJZEBVHALDJOR-VHSXEESVSA-N. The full InChI is InChI=1S/C11H21BO2Si/c1-11(2,3)15(4,5)13-8-9-6-7-10(12)14-9/h6-7,9-10H,8H2,1-5H3/t9-,10+/m0/s1.
What are the key properties of CID 135009717?
CID 135009717 has a molecular weight of 224.19 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135009717 is sourced from PubChem (CID 135009717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).