CID 123578263

C11H16BOSi — CID 123578263

IUPAC—
SMILES[B]([SiH2]C1CCCCO1)c1ccccc1
InChIInChI=1S/C11H16BOSi/c1-2-6-10(7-3-1)12-14-11-8-4-5-9-13-11/h1-3,6-7,11H,4-5,8-9,14H2
InChIKeyLRXSGHMCLGADDR-UHFFFAOYSA-N
MW203.15 g/mol
LogP0.63
Rot. Bonds3

About CID 123578263

CID 123578263 (PubChem CID 123578263) has the molecular formula C11H16BOSi and a molecular weight of 203.15 g/mol.

Molecular Properties

Compound NameCID 123578263
PubChem CID123578263
Molecular FormulaC11H16BOSi
Molecular Weight203.15 g/mol
Exact Mass203.11
IUPAC Name—
SMILES[B]([SiH2]C1CCCCO1)c1ccccc1
InChIInChI=1S/C11H16BOSi/c1-2-6-10(7-3-1)12-14-11-8-4-5-9-13-11/h1-3,6-7,11H,4-5,8-9,14H2
InChIKeyLRXSGHMCLGADDR-UHFFFAOYSA-N
XLogP0.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 50.63
H-Bond Donors ≤ 50
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 123578263?
The IUPAC name of CID 123578263 (CID 123578263) is not available.
What is the SMILES notation for CID 123578263?
The canonical SMILES for CID 123578263 is [B]([SiH2]C1CCCCO1)c1ccccc1.
What is the InChIKey of CID 123578263?
The InChIKey is LRXSGHMCLGADDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BOSi/c1-2-6-10(7-3-1)12-14-11-8-4-5-9-13-11/h1-3,6-7,11H,4-5,8-9,14H2.
What are the key properties of CID 123578263?
CID 123578263 has a molecular weight of 203.15 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123578263 is sourced from PubChem (CID 123578263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).