CID 66772828

C8H9O2Si — CID 66772828

IUPAC—
SMILESCOc1cccc([Si])c1OC
InChIInChI=1S/C8H9O2Si/c1-9-6-4-3-5-7(11)8(6)10-2/h3-5H,1-2H3
InChIKeyQKOPJKATXWCMFJ-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.50
Rot. Bonds2

About CID 66772828

CID 66772828 (PubChem CID 66772828) has the molecular formula C8H9O2Si and a molecular weight of 165.24 g/mol.

Molecular Properties

Compound NameCID 66772828
PubChem CID66772828
Molecular FormulaC8H9O2Si
Molecular Weight165.24 g/mol
Exact Mass165.04
IUPAC Name—
SMILESCOc1cccc([Si])c1OC
InChIInChI=1S/C8H9O2Si/c1-9-6-4-3-5-7(11)8(6)10-2/h3-5H,1-2H3
InChIKeyQKOPJKATXWCMFJ-UHFFFAOYSA-N
XLogP0.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 66772828 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
CID 54341332
CID 54341332
azanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate
CID 174894869
CID 67570754
CID 67570754
phenol;1,2,3-trimethoxybenzene
CID 174871155
propanal;1,2,3-trimethoxybenzene
CID 174975216
N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine
CID 4658188
(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
CID 67913122
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
1,1-bis(2,3-dimethoxyphenyl)ethanol
CID 126607821
CID 19063632
CID 19063632
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381

Frequently Asked Questions

What is the IUPAC name of CID 66772828?
The IUPAC name of CID 66772828 (CID 66772828) is not available.
What is the SMILES notation for CID 66772828?
The canonical SMILES for CID 66772828 is COc1cccc([Si])c1OC.
What is the InChIKey of CID 66772828?
The InChIKey is QKOPJKATXWCMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O2Si/c1-9-6-4-3-5-7(11)8(6)10-2/h3-5H,1-2H3.
What are the key properties of CID 66772828?
CID 66772828 has a molecular weight of 165.24 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66772828 is sourced from PubChem (CID 66772828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).