CID 67760191

C30H34F3Si — CID 67760191

IUPAC—
SMILESCCCCC[Si]1CCC(c2cc(CCc3ccc(F)c(F)c3)ccc2-c2ccccc2F)CC1
InChIInChI=1S/C30H34F3Si/c1-2-3-6-17-34-18-15-24(16-19-34)27-20-22(9-10-23-12-14-29(32)30(33)21-23)11-13-25(27)26-7-4-5-8-28(26)31/h4-5,7-8,11-14,20-21,24H,2-3,6,9-10,15-19H2,1H3
InChIKeySTFBUMQQQBGRKX-UHFFFAOYSA-N
MW479.68 g/mol
LogP9.12
Rot. Bonds9

About CID 67760191

CID 67760191 (PubChem CID 67760191) has the molecular formula C30H34F3Si and a molecular weight of 479.68 g/mol.

Molecular Properties

Compound NameCID 67760191
PubChem CID67760191
Molecular FormulaC30H34F3Si
Molecular Weight479.68 g/mol
Exact Mass479.24
IUPAC Name—
SMILESCCCCC[Si]1CCC(c2cc(CCc3ccc(F)c(F)c3)ccc2-c2ccccc2F)CC1
InChIInChI=1S/C30H34F3Si/c1-2-3-6-17-34-18-15-24(16-19-34)27-20-22(9-10-23-12-14-29(32)30(33)21-23)11-13-25(27)26-7-4-5-8-28(26)31/h4-5,7-8,11-14,20-21,24H,2-3,6,9-10,15-19H2,1H3
InChIKeySTFBUMQQQBGRKX-UHFFFAOYSA-N
XLogP9.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.68
LogP ≤ 59.12
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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Frequently Asked Questions

What is the IUPAC name of CID 67760191?
The IUPAC name of CID 67760191 (CID 67760191) is not available.
What is the SMILES notation for CID 67760191?
The canonical SMILES for CID 67760191 is CCCCC[Si]1CCC(c2cc(CCc3ccc(F)c(F)c3)ccc2-c2ccccc2F)CC1.
What is the InChIKey of CID 67760191?
The InChIKey is STFBUMQQQBGRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F3Si/c1-2-3-6-17-34-18-15-24(16-19-34)27-20-22(9-10-23-12-14-29(32)30(33)21-23)11-13-25(27)26-7-4-5-8-28(26)31/h4-5,7-8,11-14,20-21,24H,2-3,6,9-10,15-19H2,1H3.
What are the key properties of CID 67760191?
CID 67760191 has a molecular weight of 479.68 g/mol, XLogP of 9.12, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67760191 is sourced from PubChem (CID 67760191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).