CID 171818916

C6H9NOSi — CID 171818916

IUPAC—
SMILESCN1CC[C@]2(C[Si]2)C1=O
InChIInChI=1S/C6H9NOSi/c1-7-3-2-6(4-9-6)5(7)8/h2-4H2,1H3/t6-/m0/s1
InChIKeyVMSLTWXEHFCBGP-LURJTMIESA-N
MW139.23 g/mol
LogP0.14
Rot. Bonds

About CID 171818916

CID 171818916 (PubChem CID 171818916) has the molecular formula C6H9NOSi and a molecular weight of 139.23 g/mol.

Molecular Properties

Compound NameCID 171818916
PubChem CID171818916
Molecular FormulaC6H9NOSi
Molecular Weight139.23 g/mol
Exact Mass139.05
IUPAC Name—
SMILESCN1CC[C@]2(C[Si]2)C1=O
InChIInChI=1S/C6H9NOSi/c1-7-3-2-6(4-9-6)5(7)8/h2-4H2,1H3/t6-/m0/s1
InChIKeyVMSLTWXEHFCBGP-LURJTMIESA-N
XLogP0.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.23
LogP ≤ 50.14
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 171818916?
The IUPAC name of CID 171818916 (CID 171818916) is not available.
What is the SMILES notation for CID 171818916?
The canonical SMILES for CID 171818916 is CN1CC[C@]2(C[Si]2)C1=O.
What is the InChIKey of CID 171818916?
The InChIKey is VMSLTWXEHFCBGP-LURJTMIESA-N. The full InChI is InChI=1S/C6H9NOSi/c1-7-3-2-6(4-9-6)5(7)8/h2-4H2,1H3/t6-/m0/s1.
What are the key properties of CID 171818916?
CID 171818916 has a molecular weight of 139.23 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171818916 is sourced from PubChem (CID 171818916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).