CID 66779329

C23H29O2Si2 — CID 66779329

IUPAC—
SMILESC=Cc1ccccc1[Si]1(c2ccccc2C[Si]2CCCCO2)CCCCO1
InChIInChI=1S/C23H29O2Si2/c1-2-20-11-3-5-13-22(20)27(18-10-8-16-25-27)23-14-6-4-12-21(23)19-26-17-9-7-15-24-26/h2-6,11-14H,1,7-10,15-19H2
InChIKeyJHPPVOIIQLTYBH-UHFFFAOYSA-N
MW393.66 g/mol
LogP4.08
Rot. Bonds5

About CID 66779329

CID 66779329 (PubChem CID 66779329) has the molecular formula C23H29O2Si2 and a molecular weight of 393.66 g/mol.

Molecular Properties

Compound NameCID 66779329
PubChem CID66779329
Molecular FormulaC23H29O2Si2
Molecular Weight393.66 g/mol
Exact Mass393.17
IUPAC Name—
SMILESC=Cc1ccccc1[Si]1(c2ccccc2C[Si]2CCCCO2)CCCCO1
InChIInChI=1S/C23H29O2Si2/c1-2-20-11-3-5-13-22(20)27(18-10-8-16-25-27)23-14-6-4-12-21(23)19-26-17-9-7-15-24-26/h2-6,11-14H,1,7-10,15-19H2
InChIKeyJHPPVOIIQLTYBH-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.66
LogP ≤ 54.08
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 66779329?
The IUPAC name of CID 66779329 (CID 66779329) is not available.
What is the SMILES notation for CID 66779329?
The canonical SMILES for CID 66779329 is C=Cc1ccccc1[Si]1(c2ccccc2C[Si]2CCCCO2)CCCCO1.
What is the InChIKey of CID 66779329?
The InChIKey is JHPPVOIIQLTYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29O2Si2/c1-2-20-11-3-5-13-22(20)27(18-10-8-16-25-27)23-14-6-4-12-21(23)19-26-17-9-7-15-24-26/h2-6,11-14H,1,7-10,15-19H2.
What are the key properties of CID 66779329?
CID 66779329 has a molecular weight of 393.66 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66779329 is sourced from PubChem (CID 66779329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).