CID 176819379

C18H31O3Si2 — CID 176819379

IUPAC—
SMILESC#CC(C)(CC(C)C)O[Si]C[Si](OC)OC(C)(C#C)CC(C)C
InChIInChI=1S/C18H31O3Si2/c1-10-17(7,12-15(3)4)20-22-14-23(19-9)21-18(8,11-2)13-16(5)6/h1-2,15-16H,12-14H2,3-9H3
InChIKeyBRDBGRBJUCORGS-UHFFFAOYSA-N
MW351.62 g/mol
LogP3.61
Rot. Bonds11

About CID 176819379

CID 176819379 (PubChem CID 176819379) has the molecular formula C18H31O3Si2 and a molecular weight of 351.62 g/mol.

Molecular Properties

Compound NameCID 176819379
PubChem CID176819379
Molecular FormulaC18H31O3Si2
Molecular Weight351.62 g/mol
Exact Mass351.18
IUPAC Name—
SMILESC#CC(C)(CC(C)C)O[Si]C[Si](OC)OC(C)(C#C)CC(C)C
InChIInChI=1S/C18H31O3Si2/c1-10-17(7,12-15(3)4)20-22-14-23(19-9)21-18(8,11-2)13-16(5)6/h1-2,15-16H,12-14H2,3-9H3
InChIKeyBRDBGRBJUCORGS-UHFFFAOYSA-N
XLogP3.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.62
LogP ≤ 53.61
H-Bond Donors ≤ 50
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 176819379?
The IUPAC name of CID 176819379 (CID 176819379) is not available.
What is the SMILES notation for CID 176819379?
The canonical SMILES for CID 176819379 is C#CC(C)(CC(C)C)O[Si]C[Si](OC)OC(C)(C#C)CC(C)C.
What is the InChIKey of CID 176819379?
The InChIKey is BRDBGRBJUCORGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31O3Si2/c1-10-17(7,12-15(3)4)20-22-14-23(19-9)21-18(8,11-2)13-16(5)6/h1-2,15-16H,12-14H2,3-9H3.
What are the key properties of CID 176819379?
CID 176819379 has a molecular weight of 351.62 g/mol, XLogP of 3.61, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176819379 is sourced from PubChem (CID 176819379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).