CID 68980632

C16H27O2Si — CID 68980632

IUPAC—
SMILESCCc1ccccc1[Si](OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C16H27O2Si/c1-8-13-11-9-10-12-14(13)19(17-15(2,3)4)18-16(5,6)7/h9-12H,8H2,1-7H3
InChIKeyIZNPRECBFFZEQG-UHFFFAOYSA-N
MW279.48 g/mol
LogP3.57
Rot. Bonds4

About CID 68980632

CID 68980632 (PubChem CID 68980632) has the molecular formula C16H27O2Si and a molecular weight of 279.48 g/mol.

Molecular Properties

Compound NameCID 68980632
PubChem CID68980632
Molecular FormulaC16H27O2Si
Molecular Weight279.48 g/mol
Exact Mass279.18
IUPAC Name—
SMILESCCc1ccccc1[Si](OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C16H27O2Si/c1-8-13-11-9-10-12-14(13)19(17-15(2,3)4)18-16(5,6)7/h9-12H,8H2,1-7H3
InChIKeyIZNPRECBFFZEQG-UHFFFAOYSA-N
XLogP3.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.48
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 68980632 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 90389587
CID 90389587
1,2-diethylbenzene;hydrobromide
CID 174973685
2-tert-butylperoxy-2-methylpropane;1,2-dipropylbenzene
CID 162101368
1,2-diethylbenzene;silyloxysilane
CID 158803052
CID 67919352
CID 67919352
CID 175191722
CID 175191722
tert-butyl 2-propylbenzenecarboperoxoate
CID 175022160
1-ethyl-2-(2-methylbutan-2-yloxy)benzene
CID 13132255
1-(1,1-difluoroethoxy)-2-ethylbenzene
CID 144727435
2-(2-ethylphenyl)propan-2-ol
CID 11958936
1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251
1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
CID 173096037

Frequently Asked Questions

What is the IUPAC name of CID 68980632?
The IUPAC name of CID 68980632 (CID 68980632) is not available.
What is the SMILES notation for CID 68980632?
The canonical SMILES for CID 68980632 is CCc1ccccc1[Si](OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of CID 68980632?
The InChIKey is IZNPRECBFFZEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27O2Si/c1-8-13-11-9-10-12-14(13)19(17-15(2,3)4)18-16(5,6)7/h9-12H,8H2,1-7H3.
What are the key properties of CID 68980632?
CID 68980632 has a molecular weight of 279.48 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68980632 is sourced from PubChem (CID 68980632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).