CID 174422021

C5H7OSi — CID 174422021

IUPAC—
SMILESCc1ccc([SiH2])o1
InChIInChI=1S/C5H7OSi/c1-4-2-3-5(7)6-4/h2-3H,7H2,1H3
InChIKeyGPBKBRCHWQRFCB-UHFFFAOYSA-N
MW111.20 g/mol
LogP-0.15
Rot. Bonds

About CID 174422021

CID 174422021 (PubChem CID 174422021) has the molecular formula C5H7OSi and a molecular weight of 111.20 g/mol.

Molecular Properties

Compound NameCID 174422021
PubChem CID174422021
Molecular FormulaC5H7OSi
Molecular Weight111.20 g/mol
Exact Mass111.03
IUPAC Name—
SMILESCc1ccc([SiH2])o1
InChIInChI=1S/C5H7OSi/c1-4-2-3-5(7)6-4/h2-3H,7H2,1H3
InChIKeyGPBKBRCHWQRFCB-UHFFFAOYSA-N
XLogP-0.15
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.20
LogP ≤ 5-0.15
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 174422021?
The IUPAC name of CID 174422021 (CID 174422021) is not available.
What is the SMILES notation for CID 174422021?
The canonical SMILES for CID 174422021 is Cc1ccc([SiH2])o1.
What is the InChIKey of CID 174422021?
The InChIKey is GPBKBRCHWQRFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7OSi/c1-4-2-3-5(7)6-4/h2-3H,7H2,1H3.
What are the key properties of CID 174422021?
CID 174422021 has a molecular weight of 111.20 g/mol, XLogP of -0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174422021 is sourced from PubChem (CID 174422021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).