CID 87704392

C5H9BO2Si — CID 87704392

IUPAC—
SMILES[B][Si](=O)C1CCCCO1
InChIInChI=1S/C5H9BO2Si/c6-9(7)5-3-1-2-4-8-5/h5H,1-4H2
InChIKeyNPEGAAOFLFWVFG-UHFFFAOYSA-N
MW140.02 g/mol
LogP0.18
Rot. Bonds1

About CID 87704392

CID 87704392 (PubChem CID 87704392) has the molecular formula C5H9BO2Si and a molecular weight of 140.02 g/mol.

Molecular Properties

Compound NameCID 87704392
PubChem CID87704392
Molecular FormulaC5H9BO2Si
Molecular Weight140.02 g/mol
Exact Mass140.05
IUPAC Name—
SMILES[B][Si](=O)C1CCCCO1
InChIInChI=1S/C5H9BO2Si/c6-9(7)5-3-1-2-4-8-5/h5H,1-4H2
InChIKeyNPEGAAOFLFWVFG-UHFFFAOYSA-N
XLogP0.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.02
LogP ≤ 50.18
H-Bond Donors ≤ 50
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 87704392?
The IUPAC name of CID 87704392 (CID 87704392) is not available.
What is the SMILES notation for CID 87704392?
The canonical SMILES for CID 87704392 is [B][Si](=O)C1CCCCO1.
What is the InChIKey of CID 87704392?
The InChIKey is NPEGAAOFLFWVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BO2Si/c6-9(7)5-3-1-2-4-8-5/h5H,1-4H2.
What are the key properties of CID 87704392?
CID 87704392 has a molecular weight of 140.02 g/mol, XLogP of 0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87704392 is sourced from PubChem (CID 87704392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).