CID 87099045

C5H9OSi — CID 87099045

IUPAC—
SMILESC=CC(=O)[Si](C)C
InChIInChI=1S/C5H9OSi/c1-4-5(6)7(2)3/h4H,1H2,2-3H3
InChIKeyZJNRMEMSCACOBL-UHFFFAOYSA-N
MW113.21 g/mol
LogP1.04
Rot. Bonds2

About CID 87099045

CID 87099045 (PubChem CID 87099045) has the molecular formula C5H9OSi and a molecular weight of 113.21 g/mol.

Molecular Properties

Compound NameCID 87099045
PubChem CID87099045
Molecular FormulaC5H9OSi
Molecular Weight113.21 g/mol
Exact Mass113.04
IUPAC Name—
SMILESC=CC(=O)[Si](C)C
InChIInChI=1S/C5H9OSi/c1-4-5(6)7(2)3/h4H,1H2,2-3H3
InChIKeyZJNRMEMSCACOBL-UHFFFAOYSA-N
XLogP1.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.21
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87099045?
The IUPAC name of CID 87099045 (CID 87099045) is not available.
What is the SMILES notation for CID 87099045?
The canonical SMILES for CID 87099045 is C=CC(=O)[Si](C)C.
What is the InChIKey of CID 87099045?
The InChIKey is ZJNRMEMSCACOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9OSi/c1-4-5(6)7(2)3/h4H,1H2,2-3H3.
What are the key properties of CID 87099045?
CID 87099045 has a molecular weight of 113.21 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87099045 is sourced from PubChem (CID 87099045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).