2-tert-butyl-2,4-dimethyl-1-(2-silylethoxy)pentan-1-ol

C13H30O2Si — CID 123347018

IUPAC2-tert-butyl-2,4-dimethyl-1-(2-silylethoxy)pentan-1-ol
SMILESCC(C)CC(C)(C(O)OCC[SiH3])C(C)(C)C
InChIInChI=1S/C13H30O2Si/c1-10(2)9-13(6,12(3,4)5)11(14)15-7-8-16/h10-11,14H,7-9H2,1-6,16H3
InChIKeyWEMOBMNXKGKTOG-UHFFFAOYSA-N
MW246.47 g/mol
LogP2.20
Rot. Bonds6

About 2-tert-butyl-2,4-dimethyl-1-(2-silylethoxy)pentan-1-ol

2-tert-butyl-2,4-dimethyl-1-(2-silylethoxy)pentan-1-ol (PubChem CID 123347018) has the molecular formula C13H30O2Si and a molecular weight of 246.47 g/mol. Its IUPAC name is 2-tert-butyl-2,4-dimethyl-1-(2-silylethoxy)pentan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-2,4-dimethyl-1-(2-silylethoxy)pentan-1-ol
PubChem CID123347018
Molecular FormulaC13H30O2Si
Molecular Weight246.47 g/mol
Exact Mass246.20
IUPAC Name2-tert-butyl-2,4-dimethyl-1-(2-silylethoxy)pentan-1-ol
SMILESCC(C)CC(C)(C(O)OCC[SiH3])C(C)(C)C
InChIInChI=1S/C13H30O2Si/c1-10(2)9-13(6,12(3,4)5)11(14)15-7-8-16/h10-11,14H,7-9H2,1-6,16H3
InChIKeyWEMOBMNXKGKTOG-UHFFFAOYSA-N
XLogP2.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-2,4-dimethyl-1-(2-silylethoxy)pentan-1-ol?
The IUPAC name of 2-tert-butyl-2,4-dimethyl-1-(2-silylethoxy)pentan-1-ol (CID 123347018) is 2-tert-butyl-2,4-dimethyl-1-(2-silylethoxy)pentan-1-ol.
What is the SMILES notation for 2-tert-butyl-2,4-dimethyl-1-(2-silylethoxy)pentan-1-ol?
The canonical SMILES for 2-tert-butyl-2,4-dimethyl-1-(2-silylethoxy)pentan-1-ol is CC(C)CC(C)(C(O)OCC[SiH3])C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2,4-dimethyl-1-(2-silylethoxy)pentan-1-ol?
The InChIKey is WEMOBMNXKGKTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O2Si/c1-10(2)9-13(6,12(3,4)5)11(14)15-7-8-16/h10-11,14H,7-9H2,1-6,16H3.
What are the key properties of 2-tert-butyl-2,4-dimethyl-1-(2-silylethoxy)pentan-1-ol?
2-tert-butyl-2,4-dimethyl-1-(2-silylethoxy)pentan-1-ol has a molecular weight of 246.47 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,4-dimethyl-1-(2-silylethoxy)pentan-1-ol is sourced from PubChem (CID 123347018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).