[3-(2,2-dimethylpropyl)-4,4-dimethylhexyl]-methoxysilane

C14H32OSi — CID 123540189

IUPAC[3-(2,2-dimethylpropyl)-4,4-dimethylhexyl]-methoxysilane
SMILESCCC(C)(C)C(CC[SiH2]OC)CC(C)(C)C
InChIInChI=1S/C14H32OSi/c1-8-14(5,6)12(9-10-16-15-7)11-13(2,3)4/h12H,8-11,16H2,1-7H3
InChIKeyPGIBGPBLLROJGS-UHFFFAOYSA-N
MW244.49 g/mol
LogP4.01
Rot. Bonds7

About [3-(2,2-dimethylpropyl)-4,4-dimethylhexyl]-methoxysilane

[3-(2,2-dimethylpropyl)-4,4-dimethylhexyl]-methoxysilane (PubChem CID 123540189) has the molecular formula C14H32OSi and a molecular weight of 244.49 g/mol. Its IUPAC name is [3-(2,2-dimethylpropyl)-4,4-dimethylhexyl]-methoxysilane.

Molecular Properties

Compound Name[3-(2,2-dimethylpropyl)-4,4-dimethylhexyl]-methoxysilane
PubChem CID123540189
Molecular FormulaC14H32OSi
Molecular Weight244.49 g/mol
Exact Mass244.22
IUPAC Name[3-(2,2-dimethylpropyl)-4,4-dimethylhexyl]-methoxysilane
SMILESCCC(C)(C)C(CC[SiH2]OC)CC(C)(C)C
InChIInChI=1S/C14H32OSi/c1-8-14(5,6)12(9-10-16-15-7)11-13(2,3)4/h12H,8-11,16H2,1-7H3
InChIKeyPGIBGPBLLROJGS-UHFFFAOYSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2-dimethylpropyl)-4,4-dimethylhexyl]-methoxysilane?
The IUPAC name of [3-(2,2-dimethylpropyl)-4,4-dimethylhexyl]-methoxysilane (CID 123540189) is [3-(2,2-dimethylpropyl)-4,4-dimethylhexyl]-methoxysilane.
What is the SMILES notation for [3-(2,2-dimethylpropyl)-4,4-dimethylhexyl]-methoxysilane?
The canonical SMILES for [3-(2,2-dimethylpropyl)-4,4-dimethylhexyl]-methoxysilane is CCC(C)(C)C(CC[SiH2]OC)CC(C)(C)C.
What is the InChIKey of [3-(2,2-dimethylpropyl)-4,4-dimethylhexyl]-methoxysilane?
The InChIKey is PGIBGPBLLROJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32OSi/c1-8-14(5,6)12(9-10-16-15-7)11-13(2,3)4/h12H,8-11,16H2,1-7H3.
What are the key properties of [3-(2,2-dimethylpropyl)-4,4-dimethylhexyl]-methoxysilane?
[3-(2,2-dimethylpropyl)-4,4-dimethylhexyl]-methoxysilane has a molecular weight of 244.49 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-dimethylpropyl)-4,4-dimethylhexyl]-methoxysilane is sourced from PubChem (CID 123540189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).