CID 22314868

C16H21Si — CID 22314868

IUPAC—
SMILESCc1c([Si])ccc(C2=CC(C)(C)CCC2)c1C
InChIInChI=1S/C16H21Si/c1-11-12(2)15(17)8-7-14(11)13-6-5-9-16(3,4)10-13/h7-8,10H,5-6,9H2,1-4H3
InChIKeyVZLXJIVKGLLFJQ-UHFFFAOYSA-N
MW241.43 g/mol
LogP3.69
Rot. Bonds1

About CID 22314868

CID 22314868 (PubChem CID 22314868) has the molecular formula C16H21Si and a molecular weight of 241.43 g/mol.

Molecular Properties

Compound NameCID 22314868
PubChem CID22314868
Molecular FormulaC16H21Si
Molecular Weight241.43 g/mol
Exact Mass241.14
IUPAC Name—
SMILESCc1c([Si])ccc(C2=CC(C)(C)CCC2)c1C
InChIInChI=1S/C16H21Si/c1-11-12(2)15(17)8-7-14(11)13-6-5-9-16(3,4)10-13/h7-8,10H,5-6,9H2,1-4H3
InChIKeyVZLXJIVKGLLFJQ-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 22314868?
The IUPAC name of CID 22314868 (CID 22314868) is not available.
What is the SMILES notation for CID 22314868?
The canonical SMILES for CID 22314868 is Cc1c([Si])ccc(C2=CC(C)(C)CCC2)c1C.
What is the InChIKey of CID 22314868?
The InChIKey is VZLXJIVKGLLFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Si/c1-11-12(2)15(17)8-7-14(11)13-6-5-9-16(3,4)10-13/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of CID 22314868?
CID 22314868 has a molecular weight of 241.43 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22314868 is sourced from PubChem (CID 22314868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).