CID 54222867

C12H23Si — CID 54222867

IUPAC—
SMILESCC1=CCC(C(C)C[Si](C)C)CC1
InChIInChI=1S/C12H23Si/c1-10-5-7-12(8-6-10)11(2)9-13(3)4/h5,11-12H,6-9H2,1-4H3
InChIKeyQDVCGPZKLODZHC-UHFFFAOYSA-N
MW195.40 g/mol
LogP4.12
Rot. Bonds3

About CID 54222867

CID 54222867 (PubChem CID 54222867) has the molecular formula C12H23Si and a molecular weight of 195.40 g/mol.

Molecular Properties

Compound NameCID 54222867
PubChem CID54222867
Molecular FormulaC12H23Si
Molecular Weight195.40 g/mol
Exact Mass195.16
IUPAC Name—
SMILESCC1=CCC(C(C)C[Si](C)C)CC1
InChIInChI=1S/C12H23Si/c1-10-5-7-12(8-6-10)11(2)9-13(3)4/h5,11-12H,6-9H2,1-4H3
InChIKeyQDVCGPZKLODZHC-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 54222867?
The IUPAC name of CID 54222867 (CID 54222867) is not available.
What is the SMILES notation for CID 54222867?
The canonical SMILES for CID 54222867 is CC1=CCC(C(C)C[Si](C)C)CC1.
What is the InChIKey of CID 54222867?
The InChIKey is QDVCGPZKLODZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Si/c1-10-5-7-12(8-6-10)11(2)9-13(3)4/h5,11-12H,6-9H2,1-4H3.
What are the key properties of CID 54222867?
CID 54222867 has a molecular weight of 195.40 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54222867 is sourced from PubChem (CID 54222867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).