CID 21119616

C14H22O2Si — CID 21119616

IUPAC—
SMILESCCOC(OCC)[Si]CC(C)c1ccccc1
InChIInChI=1S/C14H22O2Si/c1-4-15-14(16-5-2)17-11-12(3)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11H2,1-3H3
InChIKeyFGKBEXHOVPDGMX-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.27
Rot. Bonds8

About CID 21119616

CID 21119616 (PubChem CID 21119616) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol.

Molecular Properties

Compound NameCID 21119616
PubChem CID21119616
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name—
SMILESCCOC(OCC)[Si]CC(C)c1ccccc1
InChIInChI=1S/C14H22O2Si/c1-4-15-14(16-5-2)17-11-12(3)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11H2,1-3H3
InChIKeyFGKBEXHOVPDGMX-UHFFFAOYSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 21119616?
The IUPAC name of CID 21119616 (CID 21119616) is not available.
What is the SMILES notation for CID 21119616?
The canonical SMILES for CID 21119616 is CCOC(OCC)[Si]CC(C)c1ccccc1.
What is the InChIKey of CID 21119616?
The InChIKey is FGKBEXHOVPDGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-4-15-14(16-5-2)17-11-12(3)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11H2,1-3H3.
What are the key properties of CID 21119616?
CID 21119616 has a molecular weight of 250.41 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21119616 is sourced from PubChem (CID 21119616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).