CID 70136564

C22H32F2Si — CID 70136564

IUPAC—
SMILESC[Si]C1CCC(C)(C2CCC(CCc3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H32F2Si/c1-22(13-11-19(25-2)12-14-22)18-8-5-16(6-9-18)3-4-17-7-10-20(23)21(24)15-17/h7,10,15-16,18-19H,3-6,8-9,11-14H2,1-2H3
InChIKeyQOQBRQLTLSJVSY-UHFFFAOYSA-N
MW362.58 g/mol
LogP6.82
Rot. Bonds5

About CID 70136564

CID 70136564 (PubChem CID 70136564) has the molecular formula C22H32F2Si and a molecular weight of 362.58 g/mol.

Molecular Properties

Compound NameCID 70136564
PubChem CID70136564
Molecular FormulaC22H32F2Si
Molecular Weight362.58 g/mol
Exact Mass362.22
IUPAC Name—
SMILESC[Si]C1CCC(C)(C2CCC(CCc3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H32F2Si/c1-22(13-11-19(25-2)12-14-22)18-8-5-16(6-9-18)3-4-17-7-10-20(23)21(24)15-17/h7,10,15-16,18-19H,3-6,8-9,11-14H2,1-2H3
InChIKeyQOQBRQLTLSJVSY-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.58
LogP ≤ 56.82
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 70136564?
The IUPAC name of CID 70136564 (CID 70136564) is not available.
What is the SMILES notation for CID 70136564?
The canonical SMILES for CID 70136564 is C[Si]C1CCC(C)(C2CCC(CCc3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of CID 70136564?
The InChIKey is QOQBRQLTLSJVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F2Si/c1-22(13-11-19(25-2)12-14-22)18-8-5-16(6-9-18)3-4-17-7-10-20(23)21(24)15-17/h7,10,15-16,18-19H,3-6,8-9,11-14H2,1-2H3.
What are the key properties of CID 70136564?
CID 70136564 has a molecular weight of 362.58 g/mol, XLogP of 6.82, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70136564 is sourced from PubChem (CID 70136564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).