CID 176819362

C17H29O3Si2 — CID 176819362

IUPAC—
SMILESC#CC(C)(CC(C)C)O[Si]C[Si](O)OC(C)(C#C)CC(C)C
InChIInChI=1S/C17H29O3Si2/c1-9-16(7,11-14(3)4)19-21-13-22(18)20-17(8,10-2)12-15(5)6/h1-2,14-15,18H,11-13H2,3-8H3
InChIKeyODWLPUUSQOCYIX-UHFFFAOYSA-N
MW337.59 g/mol
LogP2.95
Rot. Bonds10

About CID 176819362

CID 176819362 (PubChem CID 176819362) has the molecular formula C17H29O3Si2 and a molecular weight of 337.59 g/mol.

Molecular Properties

Compound NameCID 176819362
PubChem CID176819362
Molecular FormulaC17H29O3Si2
Molecular Weight337.59 g/mol
Exact Mass337.17
IUPAC Name—
SMILESC#CC(C)(CC(C)C)O[Si]C[Si](O)OC(C)(C#C)CC(C)C
InChIInChI=1S/C17H29O3Si2/c1-9-16(7,11-14(3)4)19-21-13-22(18)20-17(8,10-2)12-15(5)6/h1-2,14-15,18H,11-13H2,3-8H3
InChIKeyODWLPUUSQOCYIX-UHFFFAOYSA-N
XLogP2.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.59
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 176819362?
The IUPAC name of CID 176819362 (CID 176819362) is not available.
What is the SMILES notation for CID 176819362?
The canonical SMILES for CID 176819362 is C#CC(C)(CC(C)C)O[Si]C[Si](O)OC(C)(C#C)CC(C)C.
What is the InChIKey of CID 176819362?
The InChIKey is ODWLPUUSQOCYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29O3Si2/c1-9-16(7,11-14(3)4)19-21-13-22(18)20-17(8,10-2)12-15(5)6/h1-2,14-15,18H,11-13H2,3-8H3.
What are the key properties of CID 176819362?
CID 176819362 has a molecular weight of 337.59 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176819362 is sourced from PubChem (CID 176819362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).