CID 163993340

C10H18BFOSi — CID 163993340

IUPAC—
SMILES[B]C1CC=C([Si](C)(C)C)C(F)C1CO
InChIInChI=1S/C10H18BFOSi/c1-14(2,3)9-5-4-8(11)7(6-13)10(9)12/h5,7-8,10,13H,4,6H2,1-3H3
InChIKeyIUESHLTWNCTOSW-UHFFFAOYSA-N
MW212.15 g/mol
LogP2.10
Rot. Bonds2

About CID 163993340

CID 163993340 (PubChem CID 163993340) has the molecular formula C10H18BFOSi and a molecular weight of 212.15 g/mol.

Molecular Properties

Compound NameCID 163993340
PubChem CID163993340
Molecular FormulaC10H18BFOSi
Molecular Weight212.15 g/mol
Exact Mass212.12
IUPAC Name—
SMILES[B]C1CC=C([Si](C)(C)C)C(F)C1CO
InChIInChI=1S/C10H18BFOSi/c1-14(2,3)9-5-4-8(11)7(6-13)10(9)12/h5,7-8,10,13H,4,6H2,1-3H3
InChIKeyIUESHLTWNCTOSW-UHFFFAOYSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.15
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 163993340?
The IUPAC name of CID 163993340 (CID 163993340) is not available.
What is the SMILES notation for CID 163993340?
The canonical SMILES for CID 163993340 is [B]C1CC=C([Si](C)(C)C)C(F)C1CO.
What is the InChIKey of CID 163993340?
The InChIKey is IUESHLTWNCTOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BFOSi/c1-14(2,3)9-5-4-8(11)7(6-13)10(9)12/h5,7-8,10,13H,4,6H2,1-3H3.
What are the key properties of CID 163993340?
CID 163993340 has a molecular weight of 212.15 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163993340 is sourced from PubChem (CID 163993340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).