CID 10593205

C22H31NSi — CID 10593205

IUPAC—
SMILESC(=C1\CN2CCCC[C@H]2[C@@H]1C[Si]c1ccccc1)\C1CCCCC1
InChIInChI=1S/C22H31NSi/c1-3-9-18(10-4-1)15-19-16-23-14-8-7-13-22(23)21(19)17-24-20-11-5-2-6-12-20/h2,5-6,11-12,15,18,21-22H,1,3-4,7-10,13-14,16-17H2/b19-15+/t21-,22+/m1/s1
InChIKeyPYRLFPZLGDSCCA-HZNGYZHJSA-N
MW337.58 g/mol
LogP4.43
Rot. Bonds4

About CID 10593205

CID 10593205 (PubChem CID 10593205) has the molecular formula C22H31NSi and a molecular weight of 337.58 g/mol.

Molecular Properties

Compound NameCID 10593205
PubChem CID10593205
Molecular FormulaC22H31NSi
Molecular Weight337.58 g/mol
Exact Mass337.22
IUPAC Name—
SMILESC(=C1\CN2CCCC[C@H]2[C@@H]1C[Si]c1ccccc1)\C1CCCCC1
InChIInChI=1S/C22H31NSi/c1-3-9-18(10-4-1)15-19-16-23-14-8-7-13-22(23)21(19)17-24-20-11-5-2-6-12-20/h2,5-6,11-12,15,18,21-22H,1,3-4,7-10,13-14,16-17H2/b19-15+/t21-,22+/m1/s1
InChIKeyPYRLFPZLGDSCCA-HZNGYZHJSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.58
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10593205?
The IUPAC name of CID 10593205 (CID 10593205) is not available.
What is the SMILES notation for CID 10593205?
The canonical SMILES for CID 10593205 is C(=C1\CN2CCCC[C@H]2[C@@H]1C[Si]c1ccccc1)\C1CCCCC1.
What is the InChIKey of CID 10593205?
The InChIKey is PYRLFPZLGDSCCA-HZNGYZHJSA-N. The full InChI is InChI=1S/C22H31NSi/c1-3-9-18(10-4-1)15-19-16-23-14-8-7-13-22(23)21(19)17-24-20-11-5-2-6-12-20/h2,5-6,11-12,15,18,21-22H,1,3-4,7-10,13-14,16-17H2/b19-15+/t21-,22+/m1/s1.
What are the key properties of CID 10593205?
CID 10593205 has a molecular weight of 337.58 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10593205 is sourced from PubChem (CID 10593205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).