CID 174499358

C21H33OSi — CID 174499358

IUPAC—
SMILESCCCCC1(CCCC)Cc2ccccc2OC1([Si])CCCC
InChIInChI=1S/C21H33OSi/c1-4-7-14-20(15-8-5-2)17-18-12-10-11-13-19(18)22-21(20,23)16-9-6-3/h10-13H,4-9,14-17H2,1-3H3
InChIKeyVYVFACOOJKNDJI-UHFFFAOYSA-N
MW329.58 g/mol
LogP6.04
Rot. Bonds9

About CID 174499358

CID 174499358 (PubChem CID 174499358) has the molecular formula C21H33OSi and a molecular weight of 329.58 g/mol.

Molecular Properties

Compound NameCID 174499358
PubChem CID174499358
Molecular FormulaC21H33OSi
Molecular Weight329.58 g/mol
Exact Mass329.23
IUPAC Name—
SMILESCCCCC1(CCCC)Cc2ccccc2OC1([Si])CCCC
InChIInChI=1S/C21H33OSi/c1-4-7-14-20(15-8-5-2)17-18-12-10-11-13-19(18)22-21(20,23)16-9-6-3/h10-13H,4-9,14-17H2,1-3H3
InChIKeyVYVFACOOJKNDJI-UHFFFAOYSA-N
XLogP6.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.58
LogP ≤ 56.04
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 174499358?
The IUPAC name of CID 174499358 (CID 174499358) is not available.
What is the SMILES notation for CID 174499358?
The canonical SMILES for CID 174499358 is CCCCC1(CCCC)Cc2ccccc2OC1([Si])CCCC.
What is the InChIKey of CID 174499358?
The InChIKey is VYVFACOOJKNDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33OSi/c1-4-7-14-20(15-8-5-2)17-18-12-10-11-13-19(18)22-21(20,23)16-9-6-3/h10-13H,4-9,14-17H2,1-3H3.
What are the key properties of CID 174499358?
CID 174499358 has a molecular weight of 329.58 g/mol, XLogP of 6.04, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174499358 is sourced from PubChem (CID 174499358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).