2,3,3-trimethyl-2-propan-2-yl-1-(3-trimethylsilyloxysilylpropoxy)butan-1-ol

C16H38O3Si2 — CID 123271869

IUPAC2,3,3-trimethyl-2-propan-2-yl-1-(3-trimethylsilyloxysilylpropoxy)butan-1-ol
SMILESCC(C)C(C)(C(O)OCCC[SiH2]O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C16H38O3Si2/c1-13(2)16(6,15(3,4)5)14(17)18-11-10-12-20-19-21(7,8)9/h13-14,17H,10-12,20H2,1-9H3
InChIKeyWXJGJLJXZVWWBF-UHFFFAOYSA-N
MW334.65 g/mol
LogP3.77
Rot. Bonds9

About 2,3,3-trimethyl-2-propan-2-yl-1-(3-trimethylsilyloxysilylpropoxy)butan-1-ol

2,3,3-trimethyl-2-propan-2-yl-1-(3-trimethylsilyloxysilylpropoxy)butan-1-ol (PubChem CID 123271869) has the molecular formula C16H38O3Si2 and a molecular weight of 334.65 g/mol. Its IUPAC name is 2,3,3-trimethyl-2-propan-2-yl-1-(3-trimethylsilyloxysilylpropoxy)butan-1-ol.

Molecular Properties

Compound Name2,3,3-trimethyl-2-propan-2-yl-1-(3-trimethylsilyloxysilylpropoxy)butan-1-ol
PubChem CID123271869
Molecular FormulaC16H38O3Si2
Molecular Weight334.65 g/mol
Exact Mass334.24
IUPAC Name2,3,3-trimethyl-2-propan-2-yl-1-(3-trimethylsilyloxysilylpropoxy)butan-1-ol
SMILESCC(C)C(C)(C(O)OCCC[SiH2]O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C16H38O3Si2/c1-13(2)16(6,15(3,4)5)14(17)18-11-10-12-20-19-21(7,8)9/h13-14,17H,10-12,20H2,1-9H3
InChIKeyWXJGJLJXZVWWBF-UHFFFAOYSA-N
XLogP3.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.65
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-2-propan-2-yl-1-(3-trimethylsilyloxysilylpropoxy)butan-1-ol?
The IUPAC name of 2,3,3-trimethyl-2-propan-2-yl-1-(3-trimethylsilyloxysilylpropoxy)butan-1-ol (CID 123271869) is 2,3,3-trimethyl-2-propan-2-yl-1-(3-trimethylsilyloxysilylpropoxy)butan-1-ol.
What is the SMILES notation for 2,3,3-trimethyl-2-propan-2-yl-1-(3-trimethylsilyloxysilylpropoxy)butan-1-ol?
The canonical SMILES for 2,3,3-trimethyl-2-propan-2-yl-1-(3-trimethylsilyloxysilylpropoxy)butan-1-ol is CC(C)C(C)(C(O)OCCC[SiH2]O[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-2-propan-2-yl-1-(3-trimethylsilyloxysilylpropoxy)butan-1-ol?
The InChIKey is WXJGJLJXZVWWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O3Si2/c1-13(2)16(6,15(3,4)5)14(17)18-11-10-12-20-19-21(7,8)9/h13-14,17H,10-12,20H2,1-9H3.
What are the key properties of 2,3,3-trimethyl-2-propan-2-yl-1-(3-trimethylsilyloxysilylpropoxy)butan-1-ol?
2,3,3-trimethyl-2-propan-2-yl-1-(3-trimethylsilyloxysilylpropoxy)butan-1-ol has a molecular weight of 334.65 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-2-propan-2-yl-1-(3-trimethylsilyloxysilylpropoxy)butan-1-ol is sourced from PubChem (CID 123271869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).