CID 59107516

C15H38O3Si4 — CID 59107516

IUPAC
SMILESCCC(C)(OO[Si](C)(C)CC)[Si]C[Si](C)(C)O[Si](C)(C)CC
InChIInChI=1S/C15H38O3Si4/c1-11-15(4,16-17-20(5,6)12-2)19-14-22(9,10)18-21(7,8)13-3/h11-14H2,1-10H3
InChIKeyTWGHPDBDQZENBZ-UHFFFAOYSA-N
MW378.81 g/mol
LogP5.39
Rot. Bonds11

About CID 59107516

CID 59107516 (PubChem CID 59107516) has the molecular formula C15H38O3Si4 and a molecular weight of 378.81 g/mol.

Molecular Properties

Compound NameCID 59107516
PubChem CID59107516
Molecular FormulaC15H38O3Si4
Molecular Weight378.81 g/mol
Exact Mass378.19
IUPAC Name
SMILESCCC(C)(OO[Si](C)(C)CC)[Si]C[Si](C)(C)O[Si](C)(C)CC
InChIInChI=1S/C15H38O3Si4/c1-11-15(4,16-17-20(5,6)12-2)19-14-22(9,10)18-21(7,8)13-3/h11-14H2,1-10H3
InChIKeyTWGHPDBDQZENBZ-UHFFFAOYSA-N
XLogP5.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.81
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59107516?
The IUPAC name of CID 59107516 (CID 59107516) is not available.
What is the SMILES notation for CID 59107516?
The canonical SMILES for CID 59107516 is CCC(C)(OO[Si](C)(C)CC)[Si]C[Si](C)(C)O[Si](C)(C)CC.
What is the InChIKey of CID 59107516?
The InChIKey is TWGHPDBDQZENBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H38O3Si4/c1-11-15(4,16-17-20(5,6)12-2)19-14-22(9,10)18-21(7,8)13-3/h11-14H2,1-10H3.
What are the key properties of CID 59107516?
CID 59107516 has a molecular weight of 378.81 g/mol, XLogP of 5.39, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59107516 is sourced from PubChem (CID 59107516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).