dimethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane

C17H38O2Si — CID 54205248

IUPACdimethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane
SMILESCO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OC)C(C)C
InChIInChI=1S/C17H38O2Si/c1-14(2)20(18-9,19-10)12-15(3)11-17(7,8)13-16(4,5)6/h14-15H,11-13H2,1-10H3
InChIKeyPSBBSFJQPQOXHV-UHFFFAOYSA-N
MW302.58 g/mol
LogP5.62
Rot. Bonds8

About dimethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane

dimethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane (PubChem CID 54205248) has the molecular formula C17H38O2Si and a molecular weight of 302.58 g/mol. Its IUPAC name is dimethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane.

Molecular Properties

Compound Namedimethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane
PubChem CID54205248
Molecular FormulaC17H38O2Si
Molecular Weight302.58 g/mol
Exact Mass302.26
IUPAC Namedimethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane
SMILESCO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OC)C(C)C
InChIInChI=1S/C17H38O2Si/c1-14(2)20(18-9,19-10)12-15(3)11-17(7,8)13-16(4,5)6/h14-15H,11-13H2,1-10H3
InChIKeyPSBBSFJQPQOXHV-UHFFFAOYSA-N
XLogP5.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.58
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane?
The IUPAC name of dimethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane (CID 54205248) is dimethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane.
What is the SMILES notation for dimethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane?
The canonical SMILES for dimethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane is CO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OC)C(C)C.
What is the InChIKey of dimethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane?
The InChIKey is PSBBSFJQPQOXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O2Si/c1-14(2)20(18-9,19-10)12-15(3)11-17(7,8)13-16(4,5)6/h14-15H,11-13H2,1-10H3.
What are the key properties of dimethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane?
dimethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane has a molecular weight of 302.58 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane is sourced from PubChem (CID 54205248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).