CID 19593763

C18H26F3OSi — CID 19593763

IUPAC—
SMILESCCCCC[Si]1CCC(c2ccc(OCC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H26F3OSi/c1-2-3-4-11-23-12-9-16(10-13-23)15-5-7-17(8-6-15)22-14-18(19,20)21/h5-8,16H,2-4,9-14H2,1H3
InChIKeyXQKJOSPRXYDOOR-UHFFFAOYSA-N
MW343.49 g/mol
LogP6.19
Rot. Bonds7

About CID 19593763

CID 19593763 (PubChem CID 19593763) has the molecular formula C18H26F3OSi and a molecular weight of 343.49 g/mol.

Molecular Properties

Compound NameCID 19593763
PubChem CID19593763
Molecular FormulaC18H26F3OSi
Molecular Weight343.49 g/mol
Exact Mass343.17
IUPAC Name—
SMILESCCCCC[Si]1CCC(c2ccc(OCC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H26F3OSi/c1-2-3-4-11-23-12-9-16(10-13-23)15-5-7-17(8-6-15)22-14-18(19,20)21/h5-8,16H,2-4,9-14H2,1H3
InChIKeyXQKJOSPRXYDOOR-UHFFFAOYSA-N
XLogP6.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.49
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 19080569
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CID 19609422
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CID 19609427
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Frequently Asked Questions

What is the IUPAC name of CID 19593763?
The IUPAC name of CID 19593763 (CID 19593763) is not available.
What is the SMILES notation for CID 19593763?
The canonical SMILES for CID 19593763 is CCCCC[Si]1CCC(c2ccc(OCC(F)(F)F)cc2)CC1.
What is the InChIKey of CID 19593763?
The InChIKey is XQKJOSPRXYDOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3OSi/c1-2-3-4-11-23-12-9-16(10-13-23)15-5-7-17(8-6-15)22-14-18(19,20)21/h5-8,16H,2-4,9-14H2,1H3.
What are the key properties of CID 19593763?
CID 19593763 has a molecular weight of 343.49 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19593763 is sourced from PubChem (CID 19593763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).