CID 67612605

C22H27F2OSi — CID 67612605

IUPAC—
SMILESCCC[Si]1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)cc2)CC1
InChIInChI=1S/C22H27F2OSi/c1-3-13-26-14-11-17(12-15-26)16-5-7-18(8-6-16)19-9-10-20(25-4-2)22(24)21(19)23/h5-10,17H,3-4,11-15H2,1-2H3
InChIKeySOCXPBHQEOPMPO-UHFFFAOYSA-N
MW373.54 g/mol
LogP6.81
Rot. Bonds6

About CID 67612605

CID 67612605 (PubChem CID 67612605) has the molecular formula C22H27F2OSi and a molecular weight of 373.54 g/mol.

Molecular Properties

Compound NameCID 67612605
PubChem CID67612605
Molecular FormulaC22H27F2OSi
Molecular Weight373.54 g/mol
Exact Mass373.18
IUPAC Name—
SMILESCCC[Si]1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)cc2)CC1
InChIInChI=1S/C22H27F2OSi/c1-3-13-26-14-11-17(12-15-26)16-5-7-18(8-6-16)19-9-10-20(25-4-2)22(24)21(19)23/h5-10,17H,3-4,11-15H2,1-2H3
InChIKeySOCXPBHQEOPMPO-UHFFFAOYSA-N
XLogP6.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 56.81
H-Bond Donors ≤ 50
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 19609427
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Frequently Asked Questions

What is the IUPAC name of CID 67612605?
The IUPAC name of CID 67612605 (CID 67612605) is not available.
What is the SMILES notation for CID 67612605?
The canonical SMILES for CID 67612605 is CCC[Si]1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)cc2)CC1.
What is the InChIKey of CID 67612605?
The InChIKey is SOCXPBHQEOPMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2OSi/c1-3-13-26-14-11-17(12-15-26)16-5-7-18(8-6-16)19-9-10-20(25-4-2)22(24)21(19)23/h5-10,17H,3-4,11-15H2,1-2H3.
What are the key properties of CID 67612605?
CID 67612605 has a molecular weight of 373.54 g/mol, XLogP of 6.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67612605 is sourced from PubChem (CID 67612605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).