CID 21072148

C16H25O2Si — CID 21072148

IUPAC—
SMILESCCO[Si](OCC)c1ccccc1C1CCCCC1
InChIInChI=1S/C16H25O2Si/c1-3-17-19(18-4-2)16-13-9-8-12-15(16)14-10-6-5-7-11-14/h8-9,12-14H,3-7,10-11H2,1-2H3
InChIKeyRWKMAERKRUMBTK-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.50
Rot. Bonds6

About CID 21072148

CID 21072148 (PubChem CID 21072148) has the molecular formula C16H25O2Si and a molecular weight of 277.46 g/mol.

Molecular Properties

Compound NameCID 21072148
PubChem CID21072148
Molecular FormulaC16H25O2Si
Molecular Weight277.46 g/mol
Exact Mass277.16
IUPAC Name—
SMILESCCO[Si](OCC)c1ccccc1C1CCCCC1
InChIInChI=1S/C16H25O2Si/c1-3-17-19(18-4-2)16-13-9-8-12-15(16)14-10-6-5-7-11-14/h8-9,12-14H,3-7,10-11H2,1-2H3
InChIKeyRWKMAERKRUMBTK-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 21072148?
The IUPAC name of CID 21072148 (CID 21072148) is not available.
What is the SMILES notation for CID 21072148?
The canonical SMILES for CID 21072148 is CCO[Si](OCC)c1ccccc1C1CCCCC1.
What is the InChIKey of CID 21072148?
The InChIKey is RWKMAERKRUMBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25O2Si/c1-3-17-19(18-4-2)16-13-9-8-12-15(16)14-10-6-5-7-11-14/h8-9,12-14H,3-7,10-11H2,1-2H3.
What are the key properties of CID 21072148?
CID 21072148 has a molecular weight of 277.46 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21072148 is sourced from PubChem (CID 21072148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).