CID 175191722

C21H21O2Si — CID 175191722

IUPAC—
SMILESCCCc1ccccc1[Si](Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C21H21O2Si/c1-2-11-18-12-9-10-17-21(18)24(22-19-13-5-3-6-14-19)23-20-15-7-4-8-16-20/h3-10,12-17H,2,11H2,1H3
InChIKeyPCIYQXULRBKYGS-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.49
Rot. Bonds7

About CID 175191722

CID 175191722 (PubChem CID 175191722) has the molecular formula C21H21O2Si and a molecular weight of 333.48 g/mol.

Molecular Properties

Compound NameCID 175191722
PubChem CID175191722
Molecular FormulaC21H21O2Si
Molecular Weight333.48 g/mol
Exact Mass333.13
IUPAC Name—
SMILESCCCc1ccccc1[Si](Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C21H21O2Si/c1-2-11-18-12-9-10-17-21(18)24(22-19-13-5-3-6-14-19)23-20-15-7-4-8-16-20/h3-10,12-17H,2,11H2,1H3
InChIKeyPCIYQXULRBKYGS-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-benzyl-2,3-dipropylbenzene
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2-propylphenolate;zirconium(2+);chloride
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2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene
CID 162101368
2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid
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CID 23146452
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CID 68980632
CID 68980632

Frequently Asked Questions

What is the IUPAC name of CID 175191722?
The IUPAC name of CID 175191722 (CID 175191722) is not available.
What is the SMILES notation for CID 175191722?
The canonical SMILES for CID 175191722 is CCCc1ccccc1[Si](Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of CID 175191722?
The InChIKey is PCIYQXULRBKYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O2Si/c1-2-11-18-12-9-10-17-21(18)24(22-19-13-5-3-6-14-19)23-20-15-7-4-8-16-20/h3-10,12-17H,2,11H2,1H3.
What are the key properties of CID 175191722?
CID 175191722 has a molecular weight of 333.48 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175191722 is sourced from PubChem (CID 175191722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).