4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilyloxiran-2-yl)butan-1-ol

C15H34O3Si2 — CID 138982087

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilyloxiran-2-yl)butan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCC(O)C1OC1[Si](C)(C)C
InChIInChI=1S/C15H34O3Si2/c1-15(2,3)20(7,8)17-11-9-10-12(16)13-14(18-13)19(4,5)6/h12-14,16H,9-11H2,1-8H3
InChIKeyASTONNUTYRFCNH-UHFFFAOYSA-N
MW318.61 g/mol
LogP3.79
Rot. Bonds7

About 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilyloxiran-2-yl)butan-1-ol

4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilyloxiran-2-yl)butan-1-ol (PubChem CID 138982087) has the molecular formula C15H34O3Si2 and a molecular weight of 318.61 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilyloxiran-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilyloxiran-2-yl)butan-1-ol
PubChem CID138982087
Molecular FormulaC15H34O3Si2
Molecular Weight318.61 g/mol
Exact Mass318.20
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilyloxiran-2-yl)butan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCC(O)C1OC1[Si](C)(C)C
InChIInChI=1S/C15H34O3Si2/c1-15(2,3)20(7,8)17-11-9-10-12(16)13-14(18-13)19(4,5)6/h12-14,16H,9-11H2,1-8H3
InChIKeyASTONNUTYRFCNH-UHFFFAOYSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.61
LogP ≤ 53.79
H-Bond Donors ≤ 51
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilyloxiran-2-yl)butan-1-ol?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilyloxiran-2-yl)butan-1-ol (CID 138982087) is 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilyloxiran-2-yl)butan-1-ol.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilyloxiran-2-yl)butan-1-ol?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilyloxiran-2-yl)butan-1-ol is CC(C)(C)[Si](C)(C)OCCCC(O)C1OC1[Si](C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilyloxiran-2-yl)butan-1-ol?
The InChIKey is ASTONNUTYRFCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O3Si2/c1-15(2,3)20(7,8)17-11-9-10-12(16)13-14(18-13)19(4,5)6/h12-14,16H,9-11H2,1-8H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilyloxiran-2-yl)butan-1-ol?
4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilyloxiran-2-yl)butan-1-ol has a molecular weight of 318.61 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilyloxiran-2-yl)butan-1-ol is sourced from PubChem (CID 138982087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).