CID 156766113

C7H13ClNSi — CID 156766113

IUPAC—
SMILESC[Si](C)C(C)(C#N)CCCl
InChIInChI=1S/C7H13ClNSi/c1-7(6-9,4-5-8)10(2)3/h4-5H2,1-3H3
InChIKeySEBBVNFSHJCNCQ-UHFFFAOYSA-N
MW174.73 g/mol
LogP2.65
Rot. Bonds3

About CID 156766113

CID 156766113 (PubChem CID 156766113) has the molecular formula C7H13ClNSi and a molecular weight of 174.73 g/mol.

Molecular Properties

Compound NameCID 156766113
PubChem CID156766113
Molecular FormulaC7H13ClNSi
Molecular Weight174.73 g/mol
Exact Mass174.05
IUPAC Name—
SMILESC[Si](C)C(C)(C#N)CCCl
InChIInChI=1S/C7H13ClNSi/c1-7(6-9,4-5-8)10(2)3/h4-5H2,1-3H3
InChIKeySEBBVNFSHJCNCQ-UHFFFAOYSA-N
XLogP2.65
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.73
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 156766113?
The IUPAC name of CID 156766113 (CID 156766113) is not available.
What is the SMILES notation for CID 156766113?
The canonical SMILES for CID 156766113 is C[Si](C)C(C)(C#N)CCCl.
What is the InChIKey of CID 156766113?
The InChIKey is SEBBVNFSHJCNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClNSi/c1-7(6-9,4-5-8)10(2)3/h4-5H2,1-3H3.
What are the key properties of CID 156766113?
CID 156766113 has a molecular weight of 174.73 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156766113 is sourced from PubChem (CID 156766113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).