2-tert-butyl-1-(3-dimethylsilylpropoxy)-2,4,4-trimethylpentan-1-ol

C17H38O2Si — CID 123276883

IUPAC2-tert-butyl-1-(3-dimethylsilylpropoxy)-2,4,4-trimethylpentan-1-ol
SMILESC[SiH](C)CCCOC(O)C(C)(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H38O2Si/c1-15(2,3)13-17(7,16(4,5)6)14(18)19-11-10-12-20(8)9/h14,18,20H,10-13H2,1-9H3
InChIKeyNIUQWGXLTAKUQC-UHFFFAOYSA-N
MW302.58 g/mol
LogP4.69
Rot. Bonds7

About 2-tert-butyl-1-(3-dimethylsilylpropoxy)-2,4,4-trimethylpentan-1-ol

2-tert-butyl-1-(3-dimethylsilylpropoxy)-2,4,4-trimethylpentan-1-ol (PubChem CID 123276883) has the molecular formula C17H38O2Si and a molecular weight of 302.58 g/mol. Its IUPAC name is 2-tert-butyl-1-(3-dimethylsilylpropoxy)-2,4,4-trimethylpentan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-1-(3-dimethylsilylpropoxy)-2,4,4-trimethylpentan-1-ol
PubChem CID123276883
Molecular FormulaC17H38O2Si
Molecular Weight302.58 g/mol
Exact Mass302.26
IUPAC Name2-tert-butyl-1-(3-dimethylsilylpropoxy)-2,4,4-trimethylpentan-1-ol
SMILESC[SiH](C)CCCOC(O)C(C)(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H38O2Si/c1-15(2,3)13-17(7,16(4,5)6)14(18)19-11-10-12-20(8)9/h14,18,20H,10-13H2,1-9H3
InChIKeyNIUQWGXLTAKUQC-UHFFFAOYSA-N
XLogP4.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.58
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

2,4,4-Trimethyl-2-propan-2-yl-1-(3-trimethylsilylpropoxy)pentan-1-ol
CID 89222101
1-(2,2-Dimethylpropoxy)-2,4,4-trimethyl-2-propan-2-ylpentan-1-ol
CID 91196919
2-Tert-butyl-2,3,4-trimethyl-1-(2-trimethylsilylethoxy)pentan-1-ol
CID 91298482
1-(4,4-Dimethylpentoxy)-2,4,4-trimethyl-2-propan-2-ylpentan-1-ol
CID 91614724
2-Tert-butyl-2,4,4-trimethyl-1-[3-tris(trimethylsilyloxy)silylpropoxy]pentan-1-ol
CID 123211110
2,3,3-Trimethyl-2-propan-2-yl-1-(3-trimethylsilyloxysilylpropoxy)butan-1-ol
CID 123271869
2-Tert-butyl-2,4-dimethyl-1-(2-trimethylsilylethoxy)pentan-1-ol
CID 123281258
2,3,3-Trimethyl-2-propan-2-yl-1-(2-trimethylsilylethoxy)butan-1-ol
CID 123328832
2-Tert-butyl-2,4-dimethyl-1-(2-silylethoxy)pentan-1-ol
CID 123347018
2-Tert-butyl-2,3,3-trimethyl-1-(2-trimethylsilylethoxy)butan-1-ol
CID 123389581
3-Tert-butyl-2-(3-dimethylsilylpropoxy)-3,5,5-trimethylhexan-2-ol
CID 123419718
2-Tert-butyl-2,4,4-trimethyl-1-(2-trimethylsilylethoxy)pentan-1-ol
CID 123674291

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(3-dimethylsilylpropoxy)-2,4,4-trimethylpentan-1-ol?
The IUPAC name of 2-tert-butyl-1-(3-dimethylsilylpropoxy)-2,4,4-trimethylpentan-1-ol (CID 123276883) is 2-tert-butyl-1-(3-dimethylsilylpropoxy)-2,4,4-trimethylpentan-1-ol.
What is the SMILES notation for 2-tert-butyl-1-(3-dimethylsilylpropoxy)-2,4,4-trimethylpentan-1-ol?
The canonical SMILES for 2-tert-butyl-1-(3-dimethylsilylpropoxy)-2,4,4-trimethylpentan-1-ol is C[SiH](C)CCCOC(O)C(C)(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(3-dimethylsilylpropoxy)-2,4,4-trimethylpentan-1-ol?
The InChIKey is NIUQWGXLTAKUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O2Si/c1-15(2,3)13-17(7,16(4,5)6)14(18)19-11-10-12-20(8)9/h14,18,20H,10-13H2,1-9H3.
What are the key properties of 2-tert-butyl-1-(3-dimethylsilylpropoxy)-2,4,4-trimethylpentan-1-ol?
2-tert-butyl-1-(3-dimethylsilylpropoxy)-2,4,4-trimethylpentan-1-ol has a molecular weight of 302.58 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(3-dimethylsilylpropoxy)-2,4,4-trimethylpentan-1-ol is sourced from PubChem (CID 123276883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).