CID 119077121

C15H17NOSi — CID 119077121

IUPAC—
SMILESCOc1ccc(N(C)C)cc1[Si]c1ccccc1
InChIInChI=1S/C15H17NOSi/c1-16(2)12-9-10-14(17-3)15(11-12)18-13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyACSZNKOUNQZRTD-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.42
Rot. Bonds4

About CID 119077121

CID 119077121 (PubChem CID 119077121) has the molecular formula C15H17NOSi and a molecular weight of 255.39 g/mol.

Molecular Properties

Compound NameCID 119077121
PubChem CID119077121
Molecular FormulaC15H17NOSi
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC Name—
SMILESCOc1ccc(N(C)C)cc1[Si]c1ccccc1
InChIInChI=1S/C15H17NOSi/c1-16(2)12-9-10-14(17-3)15(11-12)18-13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyACSZNKOUNQZRTD-UHFFFAOYSA-N
XLogP1.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 119077121?
The IUPAC name of CID 119077121 (CID 119077121) is not available.
What is the SMILES notation for CID 119077121?
The canonical SMILES for CID 119077121 is COc1ccc(N(C)C)cc1[Si]c1ccccc1.
What is the InChIKey of CID 119077121?
The InChIKey is ACSZNKOUNQZRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOSi/c1-16(2)12-9-10-14(17-3)15(11-12)18-13-7-5-4-6-8-13/h4-11H,1-3H3.
What are the key properties of CID 119077121?
CID 119077121 has a molecular weight of 255.39 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119077121 is sourced from PubChem (CID 119077121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).