CID 54329345

C7H8OSi — CID 54329345

IUPAC—
SMILESC[Si]c1ccccc1O
InChIInChI=1S/C7H8OSi/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKeyMZBKNXKSHVNDSS-UHFFFAOYSA-N
MW136.23 g/mol
LogP0.77
Rot. Bonds1

About CID 54329345

CID 54329345 (PubChem CID 54329345) has the molecular formula C7H8OSi and a molecular weight of 136.23 g/mol.

Molecular Properties

Compound NameCID 54329345
PubChem CID54329345
Molecular FormulaC7H8OSi
Molecular Weight136.23 g/mol
Exact Mass136.03
IUPAC Name—
SMILESC[Si]c1ccccc1O
InChIInChI=1S/C7H8OSi/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKeyMZBKNXKSHVNDSS-UHFFFAOYSA-N
XLogP0.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 158804248
benzene-1,2-diol;4-methoxyphenol
CID 70292826
benzene-1,2-diol;carbanide;zirconium(2+)
CID 20654665
benzene-1,2-diol;propan-2-ol
CID 144664669
2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
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Frequently Asked Questions

What is the IUPAC name of CID 54329345?
The IUPAC name of CID 54329345 (CID 54329345) is not available.
What is the SMILES notation for CID 54329345?
The canonical SMILES for CID 54329345 is C[Si]c1ccccc1O.
What is the InChIKey of CID 54329345?
The InChIKey is MZBKNXKSHVNDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OSi/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3.
What are the key properties of CID 54329345?
CID 54329345 has a molecular weight of 136.23 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54329345 is sourced from PubChem (CID 54329345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).