CID 22913817

C27H41F4Si — CID 22913817

IUPAC—
SMILESCCCCC[Si]1CCC(CCCCC2CCC(c3ccc(C(F)(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C27H41F4Si/c1-2-3-6-17-32-18-15-22(16-19-32)8-5-4-7-21-9-11-23(12-10-21)24-13-14-25(26(28)20-24)27(29,30)31/h13-14,20-23H,2-12,15-19H2,1H3
InChIKeyBWSVVQAVXJERFX-UHFFFAOYSA-N
MW469.70 g/mol
LogP9.77
Rot. Bonds10

About CID 22913817

CID 22913817 (PubChem CID 22913817) has the molecular formula C27H41F4Si and a molecular weight of 469.70 g/mol.

Molecular Properties

Compound NameCID 22913817
PubChem CID22913817
Molecular FormulaC27H41F4Si
Molecular Weight469.70 g/mol
Exact Mass469.29
IUPAC Name—
SMILESCCCCC[Si]1CCC(CCCCC2CCC(c3ccc(C(F)(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C27H41F4Si/c1-2-3-6-17-32-18-15-22(16-19-32)8-5-4-7-21-9-11-23(12-10-21)24-13-14-25(26(28)20-24)27(29,30)31/h13-14,20-23H,2-12,15-19H2,1H3
InChIKeyBWSVVQAVXJERFX-UHFFFAOYSA-N
XLogP9.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.70
LogP ≤ 59.77
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

CID 19609431
CID 19609431
4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane
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2-fluoro-4-[4-[(E)-4-(4-pentylcyclohexyl)but-1-enyl]cyclohexyl]-1-(trifluoromethyl)benzene
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CID 22913655
CID 22913655
2-fluoro-1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-4-(4-hexylcyclohexyl)benzene
CID 22437512
CID 19609422
CID 19609422
CID 19080569
CID 19080569
CID 22924529
CID 22924529
1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene
CID 139763396
1-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 139763400
CID 23364743
CID 23364743
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774

Frequently Asked Questions

What is the IUPAC name of CID 22913817?
The IUPAC name of CID 22913817 (CID 22913817) is not available.
What is the SMILES notation for CID 22913817?
The canonical SMILES for CID 22913817 is CCCCC[Si]1CCC(CCCCC2CCC(c3ccc(C(F)(F)F)c(F)c3)CC2)CC1.
What is the InChIKey of CID 22913817?
The InChIKey is BWSVVQAVXJERFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41F4Si/c1-2-3-6-17-32-18-15-22(16-19-32)8-5-4-7-21-9-11-23(12-10-21)24-13-14-25(26(28)20-24)27(29,30)31/h13-14,20-23H,2-12,15-19H2,1H3.
What are the key properties of CID 22913817?
CID 22913817 has a molecular weight of 469.70 g/mol, XLogP of 9.77, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22913817 is sourced from PubChem (CID 22913817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).