2-methyl-1-[3-(1-trimethylsilyloxypentyl)oxiran-2-yl]propan-1-ol

C14H30O3Si — CID 554431

IUPAC2-methyl-1-[3-(1-trimethylsilyloxypentyl)oxiran-2-yl]propan-1-ol
SMILESCCCCC(O[Si](C)(C)C)C1OC1C(O)C(C)C
InChIInChI=1S/C14H30O3Si/c1-7-8-9-11(17-18(4,5)6)13-14(16-13)12(15)10(2)3/h10-15H,7-9H2,1-6H3
InChIKeyOYTGPUXBLZTEBS-UHFFFAOYSA-N
MW274.48 g/mol
LogP3.18
Rot. Bonds8

About 2-methyl-1-[3-(1-trimethylsilyloxypentyl)oxiran-2-yl]propan-1-ol

2-methyl-1-[3-(1-trimethylsilyloxypentyl)oxiran-2-yl]propan-1-ol (PubChem CID 554431) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is 2-methyl-1-[3-(1-trimethylsilyloxypentyl)oxiran-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[3-(1-trimethylsilyloxypentyl)oxiran-2-yl]propan-1-ol
PubChem CID554431
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name2-methyl-1-[3-(1-trimethylsilyloxypentyl)oxiran-2-yl]propan-1-ol
SMILESCCCCC(O[Si](C)(C)C)C1OC1C(O)C(C)C
InChIInChI=1S/C14H30O3Si/c1-7-8-9-11(17-18(4,5)6)13-14(16-13)12(15)10(2)3/h10-15H,7-9H2,1-6H3
InChIKeyOYTGPUXBLZTEBS-UHFFFAOYSA-N
XLogP3.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-methyl-1-[3-(1-trimethylsilyloxypentyl)oxiran-2-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[3-(1-trimethylsilyloxypentyl)oxiran-2-yl]propan-1-ol (CID 554431) is 2-methyl-1-[3-(1-trimethylsilyloxypentyl)oxiran-2-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[3-(1-trimethylsilyloxypentyl)oxiran-2-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[3-(1-trimethylsilyloxypentyl)oxiran-2-yl]propan-1-ol is CCCCC(O[Si](C)(C)C)C1OC1C(O)C(C)C.
What is the InChIKey of 2-methyl-1-[3-(1-trimethylsilyloxypentyl)oxiran-2-yl]propan-1-ol?
The InChIKey is OYTGPUXBLZTEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-7-8-9-11(17-18(4,5)6)13-14(16-13)12(15)10(2)3/h10-15H,7-9H2,1-6H3.
What are the key properties of 2-methyl-1-[3-(1-trimethylsilyloxypentyl)oxiran-2-yl]propan-1-ol?
2-methyl-1-[3-(1-trimethylsilyloxypentyl)oxiran-2-yl]propan-1-ol has a molecular weight of 274.48 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(1-trimethylsilyloxypentyl)oxiran-2-yl]propan-1-ol is sourced from PubChem (CID 554431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).