2-tert-butyl-1-(3-hydroxysilylpropoxy)-2,3,3-trimethylbutan-1-ol

C14H32O3Si — CID 123760205

IUPAC2-tert-butyl-1-(3-hydroxysilylpropoxy)-2,3,3-trimethylbutan-1-ol
SMILESCC(C)(C)C(C)(C(O)OCCC[SiH2]O)C(C)(C)C
InChIInChI=1S/C14H32O3Si/c1-12(2,3)14(7,13(4,5)6)11(15)17-9-8-10-18-16/h11,15-16H,8-10,18H2,1-7H3
InChIKeyHWLAIJUYDJKTQI-UHFFFAOYSA-N
MW276.49 g/mol
LogP2.30
Rot. Bonds6

About 2-tert-butyl-1-(3-hydroxysilylpropoxy)-2,3,3-trimethylbutan-1-ol

2-tert-butyl-1-(3-hydroxysilylpropoxy)-2,3,3-trimethylbutan-1-ol (PubChem CID 123760205) has the molecular formula C14H32O3Si and a molecular weight of 276.49 g/mol. Its IUPAC name is 2-tert-butyl-1-(3-hydroxysilylpropoxy)-2,3,3-trimethylbutan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-1-(3-hydroxysilylpropoxy)-2,3,3-trimethylbutan-1-ol
PubChem CID123760205
Molecular FormulaC14H32O3Si
Molecular Weight276.49 g/mol
Exact Mass276.21
IUPAC Name2-tert-butyl-1-(3-hydroxysilylpropoxy)-2,3,3-trimethylbutan-1-ol
SMILESCC(C)(C)C(C)(C(O)OCCC[SiH2]O)C(C)(C)C
InChIInChI=1S/C14H32O3Si/c1-12(2,3)14(7,13(4,5)6)11(15)17-9-8-10-18-16/h11,15-16H,8-10,18H2,1-7H3
InChIKeyHWLAIJUYDJKTQI-UHFFFAOYSA-N
XLogP2.30
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.49
LogP ≤ 52.30
H-Bond Donors ≤ 52
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-tert-butyl-1-(3-hydroxysilylpropoxy)-2,3,3-trimethylbutan-1-ol?
The IUPAC name of 2-tert-butyl-1-(3-hydroxysilylpropoxy)-2,3,3-trimethylbutan-1-ol (CID 123760205) is 2-tert-butyl-1-(3-hydroxysilylpropoxy)-2,3,3-trimethylbutan-1-ol.
What is the SMILES notation for 2-tert-butyl-1-(3-hydroxysilylpropoxy)-2,3,3-trimethylbutan-1-ol?
The canonical SMILES for 2-tert-butyl-1-(3-hydroxysilylpropoxy)-2,3,3-trimethylbutan-1-ol is CC(C)(C)C(C)(C(O)OCCC[SiH2]O)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(3-hydroxysilylpropoxy)-2,3,3-trimethylbutan-1-ol?
The InChIKey is HWLAIJUYDJKTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O3Si/c1-12(2,3)14(7,13(4,5)6)11(15)17-9-8-10-18-16/h11,15-16H,8-10,18H2,1-7H3.
What are the key properties of 2-tert-butyl-1-(3-hydroxysilylpropoxy)-2,3,3-trimethylbutan-1-ol?
2-tert-butyl-1-(3-hydroxysilylpropoxy)-2,3,3-trimethylbutan-1-ol has a molecular weight of 276.49 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(3-hydroxysilylpropoxy)-2,3,3-trimethylbutan-1-ol is sourced from PubChem (CID 123760205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).