CID 68831634

C21H32NO3Si — CID 68831634

IUPAC—
SMILESC[Si](C)OC(C1CCCN(c2ccccc2C=CC(=O)O)C1)C(C)(C)C
InChIInChI=1S/C21H32NO3Si/c1-21(2,3)20(25-26(4)5)17-10-8-14-22(15-17)18-11-7-6-9-16(18)12-13-19(23)24/h6-7,9,11-13,17,20H,8,10,14-15H2,1-5H3,(H,23,24)
InChIKeyOOUBSNJGUNYGGS-UHFFFAOYSA-N
MW374.58 g/mol
LogP4.68
Rot. Bonds6

About CID 68831634

CID 68831634 (PubChem CID 68831634) has the molecular formula C21H32NO3Si and a molecular weight of 374.58 g/mol.

Molecular Properties

Compound NameCID 68831634
PubChem CID68831634
Molecular FormulaC21H32NO3Si
Molecular Weight374.58 g/mol
Exact Mass374.22
IUPAC Name—
SMILESC[Si](C)OC(C1CCCN(c2ccccc2C=CC(=O)O)C1)C(C)(C)C
InChIInChI=1S/C21H32NO3Si/c1-21(2,3)20(25-26(4)5)17-10-8-14-22(15-17)18-11-7-6-9-16(18)12-13-19(23)24/h6-7,9,11-13,17,20H,8,10,14-15H2,1-5H3,(H,23,24)
InChIKeyOOUBSNJGUNYGGS-UHFFFAOYSA-N
XLogP4.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.58
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 68831634?
The IUPAC name of CID 68831634 (CID 68831634) is not available.
What is the SMILES notation for CID 68831634?
The canonical SMILES for CID 68831634 is C[Si](C)OC(C1CCCN(c2ccccc2C=CC(=O)O)C1)C(C)(C)C.
What is the InChIKey of CID 68831634?
The InChIKey is OOUBSNJGUNYGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32NO3Si/c1-21(2,3)20(25-26(4)5)17-10-8-14-22(15-17)18-11-7-6-9-16(18)12-13-19(23)24/h6-7,9,11-13,17,20H,8,10,14-15H2,1-5H3,(H,23,24).
What are the key properties of CID 68831634?
CID 68831634 has a molecular weight of 374.58 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68831634 is sourced from PubChem (CID 68831634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).