2-tert-butyl-2,4,4-trimethyl-1-(2-trimethylsilylethoxy)pentan-1-ol

C17H38O2Si — CID 123674291

IUPAC2-tert-butyl-2,4,4-trimethyl-1-(2-trimethylsilylethoxy)pentan-1-ol
SMILESCC(C)(C)CC(C)(C(O)OCC[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C17H38O2Si/c1-15(2,3)13-17(7,16(4,5)6)14(18)19-11-12-20(8,9)10/h14,18H,11-13H2,1-10H3
InChIKeyCPOOIRPKEWKGOW-UHFFFAOYSA-N
MW302.58 g/mol
LogP5.15
Rot. Bonds6

About 2-tert-butyl-2,4,4-trimethyl-1-(2-trimethylsilylethoxy)pentan-1-ol

2-tert-butyl-2,4,4-trimethyl-1-(2-trimethylsilylethoxy)pentan-1-ol (PubChem CID 123674291) has the molecular formula C17H38O2Si and a molecular weight of 302.58 g/mol. Its IUPAC name is 2-tert-butyl-2,4,4-trimethyl-1-(2-trimethylsilylethoxy)pentan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-2,4,4-trimethyl-1-(2-trimethylsilylethoxy)pentan-1-ol
PubChem CID123674291
Molecular FormulaC17H38O2Si
Molecular Weight302.58 g/mol
Exact Mass302.26
IUPAC Name2-tert-butyl-2,4,4-trimethyl-1-(2-trimethylsilylethoxy)pentan-1-ol
SMILESCC(C)(C)CC(C)(C(O)OCC[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C17H38O2Si/c1-15(2,3)13-17(7,16(4,5)6)14(18)19-11-12-20(8,9)10/h14,18H,11-13H2,1-10H3
InChIKeyCPOOIRPKEWKGOW-UHFFFAOYSA-N
XLogP5.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.58
LogP ≤ 55.15
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-2,4,4-trimethyl-1-(2-trimethylsilylethoxy)pentan-1-ol?
The IUPAC name of 2-tert-butyl-2,4,4-trimethyl-1-(2-trimethylsilylethoxy)pentan-1-ol (CID 123674291) is 2-tert-butyl-2,4,4-trimethyl-1-(2-trimethylsilylethoxy)pentan-1-ol.
What is the SMILES notation for 2-tert-butyl-2,4,4-trimethyl-1-(2-trimethylsilylethoxy)pentan-1-ol?
The canonical SMILES for 2-tert-butyl-2,4,4-trimethyl-1-(2-trimethylsilylethoxy)pentan-1-ol is CC(C)(C)CC(C)(C(O)OCC[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2,4,4-trimethyl-1-(2-trimethylsilylethoxy)pentan-1-ol?
The InChIKey is CPOOIRPKEWKGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O2Si/c1-15(2,3)13-17(7,16(4,5)6)14(18)19-11-12-20(8,9)10/h14,18H,11-13H2,1-10H3.
What are the key properties of 2-tert-butyl-2,4,4-trimethyl-1-(2-trimethylsilylethoxy)pentan-1-ol?
2-tert-butyl-2,4,4-trimethyl-1-(2-trimethylsilylethoxy)pentan-1-ol has a molecular weight of 302.58 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,4,4-trimethyl-1-(2-trimethylsilylethoxy)pentan-1-ol is sourced from PubChem (CID 123674291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).