7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol

C15H34O2Si — CID 21261679

IUPAC7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol
SMILESCC(C)(CCCCO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O2Si/c1-14(2,3)18(6,7)17-13-11-15(4,5)10-8-9-12-16/h16H,8-13H2,1-7H3
InChIKeyXQKXCLMGUUSPAS-UHFFFAOYSA-N
MW274.52 g/mol
LogP4.59
Rot. Bonds8

About 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol

7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol (PubChem CID 21261679) has the molecular formula C15H34O2Si and a molecular weight of 274.52 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol
PubChem CID21261679
Molecular FormulaC15H34O2Si
Molecular Weight274.52 g/mol
Exact Mass274.23
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol
SMILESCC(C)(CCCCO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O2Si/c1-14(2,3)18(6,7)17-13-11-15(4,5)10-8-9-12-16/h16H,8-13H2,1-7H3
InChIKeyXQKXCLMGUUSPAS-UHFFFAOYSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.52
LogP ≤ 54.59
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'}

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Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol (CID 21261679) is 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol is CC(C)(CCCCO)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol?
The InChIKey is XQKXCLMGUUSPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O2Si/c1-14(2,3)18(6,7)17-13-11-15(4,5)10-8-9-12-16/h16H,8-13H2,1-7H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol?
7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol has a molecular weight of 274.52 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol is sourced from PubChem (CID 21261679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).