CID 163577333

C15H23NSi- — CID 163577333

IUPAC—
SMILESC=Cc1cccc(C[Si-](C)(C)N2CCCC2)c1
InChIInChI=1S/C15H23NSi/c1-4-14-8-7-9-15(12-14)13-17(2,3)16-10-5-6-11-16/h4,7-9,12H,1,5-6,10-11,13H2,2-3H3/q-1
InChIKeyIJNMMOQJOVJSCH-UHFFFAOYSA-N
MW245.44 g/mol
LogP3.71
Rot. Bonds4

About CID 163577333

CID 163577333 (PubChem CID 163577333) has the molecular formula C15H23NSi- and a molecular weight of 245.44 g/mol.

Molecular Properties

Compound NameCID 163577333
PubChem CID163577333
Molecular FormulaC15H23NSi-
Molecular Weight245.44 g/mol
Exact Mass245.16
IUPAC Name—
SMILESC=Cc1cccc(C[Si-](C)(C)N2CCCC2)c1
InChIInChI=1S/C15H23NSi/c1-4-14-8-7-9-15(12-14)13-17(2,3)16-10-5-6-11-16/h4,7-9,12H,1,5-6,10-11,13H2,2-3H3/q-1
InChIKeyIJNMMOQJOVJSCH-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 163577333?
The IUPAC name of CID 163577333 (CID 163577333) is not available.
What is the SMILES notation for CID 163577333?
The canonical SMILES for CID 163577333 is C=Cc1cccc(C[Si-](C)(C)N2CCCC2)c1.
What is the InChIKey of CID 163577333?
The InChIKey is IJNMMOQJOVJSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NSi/c1-4-14-8-7-9-15(12-14)13-17(2,3)16-10-5-6-11-16/h4,7-9,12H,1,5-6,10-11,13H2,2-3H3/q-1.
What are the key properties of CID 163577333?
CID 163577333 has a molecular weight of 245.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163577333 is sourced from PubChem (CID 163577333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).