CID 23364743

C30H42FSi — CID 23364743

IUPAC—
SMILESCCCCC[Si]1CCC(CCC2CCC(c3ccc(-c4ccc(F)cc4)cc3)CC2)CC1
InChIInChI=1S/C30H42FSi/c1-2-3-4-21-32-22-19-25(20-23-32)6-5-24-7-9-26(10-8-24)27-11-13-28(14-12-27)29-15-17-30(31)18-16-29/h11-18,24-26H,2-10,19-23H2,1H3
InChIKeyXBYCAUAOYURIMO-UHFFFAOYSA-N
MW449.75 g/mol
LogP9.64
Rot. Bonds9

About CID 23364743

CID 23364743 (PubChem CID 23364743) has the molecular formula C30H42FSi and a molecular weight of 449.75 g/mol.

Molecular Properties

Compound NameCID 23364743
PubChem CID23364743
Molecular FormulaC30H42FSi
Molecular Weight449.75 g/mol
Exact Mass449.30
IUPAC Name—
SMILESCCCCC[Si]1CCC(CCC2CCC(c3ccc(-c4ccc(F)cc4)cc3)CC2)CC1
InChIInChI=1S/C30H42FSi/c1-2-3-4-21-32-22-19-25(20-23-32)6-5-24-7-9-26(10-8-24)27-11-13-28(14-12-27)29-15-17-30(31)18-16-29/h11-18,24-26H,2-10,19-23H2,1H3
InChIKeyXBYCAUAOYURIMO-UHFFFAOYSA-N
XLogP9.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.75
LogP ≤ 59.64
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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1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
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Frequently Asked Questions

What is the IUPAC name of CID 23364743?
The IUPAC name of CID 23364743 (CID 23364743) is not available.
What is the SMILES notation for CID 23364743?
The canonical SMILES for CID 23364743 is CCCCC[Si]1CCC(CCC2CCC(c3ccc(-c4ccc(F)cc4)cc3)CC2)CC1.
What is the InChIKey of CID 23364743?
The InChIKey is XBYCAUAOYURIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42FSi/c1-2-3-4-21-32-22-19-25(20-23-32)6-5-24-7-9-26(10-8-24)27-11-13-28(14-12-27)29-15-17-30(31)18-16-29/h11-18,24-26H,2-10,19-23H2,1H3.
What are the key properties of CID 23364743?
CID 23364743 has a molecular weight of 449.75 g/mol, XLogP of 9.64, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23364743 is sourced from PubChem (CID 23364743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).