CID 21422929

C7H12ClNOSi — CID 21422929

IUPAC—
SMILESN#CCCCO[Si]CCCCl
InChIInChI=1S/C7H12ClNOSi/c8-4-3-7-11-10-6-2-1-5-9/h1-4,6-7H2
InChIKeyHMCHWYUBOWFOON-UHFFFAOYSA-N
MW189.72 g/mol
LogP1.97
Rot. Bonds7

About CID 21422929

CID 21422929 (PubChem CID 21422929) has the molecular formula C7H12ClNOSi and a molecular weight of 189.72 g/mol.

Molecular Properties

Compound NameCID 21422929
PubChem CID21422929
Molecular FormulaC7H12ClNOSi
Molecular Weight189.72 g/mol
Exact Mass189.04
IUPAC Name—
SMILESN#CCCCO[Si]CCCCl
InChIInChI=1S/C7H12ClNOSi/c8-4-3-7-11-10-6-2-1-5-9/h1-4,6-7H2
InChIKeyHMCHWYUBOWFOON-UHFFFAOYSA-N
XLogP1.97
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.72
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 21422929?
The IUPAC name of CID 21422929 (CID 21422929) is not available.
What is the SMILES notation for CID 21422929?
The canonical SMILES for CID 21422929 is N#CCCCO[Si]CCCCl.
What is the InChIKey of CID 21422929?
The InChIKey is HMCHWYUBOWFOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNOSi/c8-4-3-7-11-10-6-2-1-5-9/h1-4,6-7H2.
What are the key properties of CID 21422929?
CID 21422929 has a molecular weight of 189.72 g/mol, XLogP of 1.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21422929 is sourced from PubChem (CID 21422929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).