CID 21470297

C22H33F2Si — CID 21470297

IUPAC—
SMILESCC(C)CC[Si]1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H33F2Si/c1-16(2)9-12-25-13-10-19(11-14-25)17-3-5-18(6-4-17)20-7-8-21(23)22(24)15-20/h7-8,15-19H,3-6,9-14H2,1-2H3
InChIKeyWENFVHBFQSXSJX-UHFFFAOYSA-N
MW363.59 g/mol
LogP7.19
Rot. Bonds5

About CID 21470297

CID 21470297 (PubChem CID 21470297) has the molecular formula C22H33F2Si and a molecular weight of 363.59 g/mol.

Molecular Properties

Compound NameCID 21470297
PubChem CID21470297
Molecular FormulaC22H33F2Si
Molecular Weight363.59 g/mol
Exact Mass363.23
IUPAC Name—
SMILESCC(C)CC[Si]1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H33F2Si/c1-16(2)9-12-25-13-10-19(11-14-25)17-3-5-18(6-4-17)20-7-8-21(23)22(24)15-20/h7-8,15-19H,3-6,9-14H2,1-2H3
InChIKeyWENFVHBFQSXSJX-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 57.19
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 21470297?
The IUPAC name of CID 21470297 (CID 21470297) is not available.
What is the SMILES notation for CID 21470297?
The canonical SMILES for CID 21470297 is CC(C)CC[Si]1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of CID 21470297?
The InChIKey is WENFVHBFQSXSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33F2Si/c1-16(2)9-12-25-13-10-19(11-14-25)17-3-5-18(6-4-17)20-7-8-21(23)22(24)15-20/h7-8,15-19H,3-6,9-14H2,1-2H3.
What are the key properties of CID 21470297?
CID 21470297 has a molecular weight of 363.59 g/mol, XLogP of 7.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21470297 is sourced from PubChem (CID 21470297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).