CID 70134768

C24H36F2Si — CID 70134768

IUPAC—
SMILESCCCC1(C2CCC(CCc3ccc(F)c(F)c3)CC2)CCC([Si]C)CC1
InChIInChI=1S/C24H36F2Si/c1-3-14-24(15-12-21(27-2)13-16-24)20-9-6-18(7-10-20)4-5-19-8-11-22(25)23(26)17-19/h8,11,17-18,20-21H,3-7,9-10,12-16H2,1-2H3
InChIKeyPVLYKQAVIYXKLB-UHFFFAOYSA-N
MW390.63 g/mol
LogP7.61
Rot. Bonds7

About CID 70134768

CID 70134768 (PubChem CID 70134768) has the molecular formula C24H36F2Si and a molecular weight of 390.63 g/mol.

Molecular Properties

Compound NameCID 70134768
PubChem CID70134768
Molecular FormulaC24H36F2Si
Molecular Weight390.63 g/mol
Exact Mass390.26
IUPAC Name—
SMILESCCCC1(C2CCC(CCc3ccc(F)c(F)c3)CC2)CCC([Si]C)CC1
InChIInChI=1S/C24H36F2Si/c1-3-14-24(15-12-21(27-2)13-16-24)20-9-6-18(7-10-20)4-5-19-8-11-22(25)23(26)17-19/h8,11,17-18,20-21H,3-7,9-10,12-16H2,1-2H3
InChIKeyPVLYKQAVIYXKLB-UHFFFAOYSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.63
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 70134768?
The IUPAC name of CID 70134768 (CID 70134768) is not available.
What is the SMILES notation for CID 70134768?
The canonical SMILES for CID 70134768 is CCCC1(C2CCC(CCc3ccc(F)c(F)c3)CC2)CCC([Si]C)CC1.
What is the InChIKey of CID 70134768?
The InChIKey is PVLYKQAVIYXKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F2Si/c1-3-14-24(15-12-21(27-2)13-16-24)20-9-6-18(7-10-20)4-5-19-8-11-22(25)23(26)17-19/h8,11,17-18,20-21H,3-7,9-10,12-16H2,1-2H3.
What are the key properties of CID 70134768?
CID 70134768 has a molecular weight of 390.63 g/mol, XLogP of 7.61, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70134768 is sourced from PubChem (CID 70134768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).