CID 140668255

C14H20O3Si — CID 140668255

IUPAC—
SMILESC=Cc1ccccc1O[Si]CC(OCC)OCC
InChIInChI=1S/C14H20O3Si/c1-4-12-9-7-8-10-13(12)17-18-11-14(15-5-2)16-6-3/h4,7-10,14H,1,5-6,11H2,2-3H3
InChIKeyTZZZRVBESXNIGY-UHFFFAOYSA-N
MW264.40 g/mol
LogP3.14
Rot. Bonds9

About CID 140668255

CID 140668255 (PubChem CID 140668255) has the molecular formula C14H20O3Si and a molecular weight of 264.40 g/mol.

Molecular Properties

Compound NameCID 140668255
PubChem CID140668255
Molecular FormulaC14H20O3Si
Molecular Weight264.40 g/mol
Exact Mass264.12
IUPAC Name—
SMILESC=Cc1ccccc1O[Si]CC(OCC)OCC
InChIInChI=1S/C14H20O3Si/c1-4-12-9-7-8-10-13(12)17-18-11-14(15-5-2)16-6-3/h4,7-10,14H,1,5-6,11H2,2-3H3
InChIKeyTZZZRVBESXNIGY-UHFFFAOYSA-N
XLogP3.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 140668255?
The IUPAC name of CID 140668255 (CID 140668255) is not available.
What is the SMILES notation for CID 140668255?
The canonical SMILES for CID 140668255 is C=Cc1ccccc1O[Si]CC(OCC)OCC.
What is the InChIKey of CID 140668255?
The InChIKey is TZZZRVBESXNIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3Si/c1-4-12-9-7-8-10-13(12)17-18-11-14(15-5-2)16-6-3/h4,7-10,14H,1,5-6,11H2,2-3H3.
What are the key properties of CID 140668255?
CID 140668255 has a molecular weight of 264.40 g/mol, XLogP of 3.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140668255 is sourced from PubChem (CID 140668255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).