CID 22913907

C20H32FSi — CID 22913907

IUPAC—
SMILESCCCCC[Si]1CCC(CCCCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H32FSi/c1-2-3-6-15-22-16-13-19(14-17-22)8-5-4-7-18-9-11-20(21)12-10-18/h9-12,19H,2-8,13-17H2,1H3
InChIKeyZOIGQCVYUFNCTM-UHFFFAOYSA-N
MW319.56 g/mol
LogP6.63
Rot. Bonds9

About CID 22913907

CID 22913907 (PubChem CID 22913907) has the molecular formula C20H32FSi and a molecular weight of 319.56 g/mol.

Molecular Properties

Compound NameCID 22913907
PubChem CID22913907
Molecular FormulaC20H32FSi
Molecular Weight319.56 g/mol
Exact Mass319.23
IUPAC Name—
SMILESCCCCC[Si]1CCC(CCCCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H32FSi/c1-2-3-6-15-22-16-13-19(14-17-22)8-5-4-7-18-9-11-20(21)12-10-18/h9-12,19H,2-8,13-17H2,1H3
InChIKeyZOIGQCVYUFNCTM-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.56
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 22913629
CID 22913629
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CID 23364708
1-chloro-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965949
4-[4-(4-pentylcyclohexyl)butyl]phenol
CID 19371124
1-fluoro-4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]benzene
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Frequently Asked Questions

What is the IUPAC name of CID 22913907?
The IUPAC name of CID 22913907 (CID 22913907) is not available.
What is the SMILES notation for CID 22913907?
The canonical SMILES for CID 22913907 is CCCCC[Si]1CCC(CCCCc2ccc(F)cc2)CC1.
What is the InChIKey of CID 22913907?
The InChIKey is ZOIGQCVYUFNCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FSi/c1-2-3-6-15-22-16-13-19(14-17-22)8-5-4-7-18-9-11-20(21)12-10-18/h9-12,19H,2-8,13-17H2,1H3.
What are the key properties of CID 22913907?
CID 22913907 has a molecular weight of 319.56 g/mol, XLogP of 6.63, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22913907 is sourced from PubChem (CID 22913907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).