CID 22228993

C17H29Si — CID 22228993

IUPAC—
SMILESCC(C)CC([Si])(CC(C)C)CC1CC2C=CC1C2
InChIInChI=1S/C17H29Si/c1-12(2)9-17(18,10-13(3)4)11-16-8-14-5-6-15(16)7-14/h5-6,12-16H,7-11H2,1-4H3
InChIKeyNVCQURGLNJFVFA-UHFFFAOYSA-N
MW261.50 g/mol
LogP5.01
Rot. Bonds6

About CID 22228993

CID 22228993 (PubChem CID 22228993) has the molecular formula C17H29Si and a molecular weight of 261.50 g/mol.

Molecular Properties

Compound NameCID 22228993
PubChem CID22228993
Molecular FormulaC17H29Si
Molecular Weight261.50 g/mol
Exact Mass261.20
IUPAC Name—
SMILESCC(C)CC([Si])(CC(C)C)CC1CC2C=CC1C2
InChIInChI=1S/C17H29Si/c1-12(2)9-17(18,10-13(3)4)11-16-8-14-5-6-15(16)7-14/h5-6,12-16H,7-11H2,1-4H3
InChIKeyNVCQURGLNJFVFA-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.50
LogP ≤ 55.01
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 22228993?
The IUPAC name of CID 22228993 (CID 22228993) is not available.
What is the SMILES notation for CID 22228993?
The canonical SMILES for CID 22228993 is CC(C)CC([Si])(CC(C)C)CC1CC2C=CC1C2.
What is the InChIKey of CID 22228993?
The InChIKey is NVCQURGLNJFVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29Si/c1-12(2)9-17(18,10-13(3)4)11-16-8-14-5-6-15(16)7-14/h5-6,12-16H,7-11H2,1-4H3.
What are the key properties of CID 22228993?
CID 22228993 has a molecular weight of 261.50 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22228993 is sourced from PubChem (CID 22228993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).