2-[3-[1-[tert-butyl(dimethyl)silyl]oxypentyl]oxiran-2-yl]propan-2-ol

C16H34O3Si — CID 554788

IUPAC2-[3-[1-[tert-butyl(dimethyl)silyl]oxypentyl]oxiran-2-yl]propan-2-ol
SMILESCCCCC(O[Si](C)(C)C(C)(C)C)C1OC1C(C)(C)O
InChIInChI=1S/C16H34O3Si/c1-9-10-11-12(13-14(18-13)16(5,6)17)19-20(7,8)15(2,3)4/h12-14,17H,9-11H2,1-8H3
InChIKeyBGPCZYBAWIFTRE-UHFFFAOYSA-N
MW302.53 g/mol
LogP4.11
Rot. Bonds7

About 2-[3-[1-[tert-butyl(dimethyl)silyl]oxypentyl]oxiran-2-yl]propan-2-ol

2-[3-[1-[tert-butyl(dimethyl)silyl]oxypentyl]oxiran-2-yl]propan-2-ol (PubChem CID 554788) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is 2-[3-[1-[tert-butyl(dimethyl)silyl]oxypentyl]oxiran-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[1-[tert-butyl(dimethyl)silyl]oxypentyl]oxiran-2-yl]propan-2-ol
PubChem CID554788
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name2-[3-[1-[tert-butyl(dimethyl)silyl]oxypentyl]oxiran-2-yl]propan-2-ol
SMILESCCCCC(O[Si](C)(C)C(C)(C)C)C1OC1C(C)(C)O
InChIInChI=1S/C16H34O3Si/c1-9-10-11-12(13-14(18-13)16(5,6)17)19-20(7,8)15(2,3)4/h12-14,17H,9-11H2,1-8H3
InChIKeyBGPCZYBAWIFTRE-UHFFFAOYSA-N
XLogP4.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.11
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-[3-[1-[tert-butyl(dimethyl)silyl]oxypentyl]oxiran-2-yl]propan-2-ol?
The IUPAC name of 2-[3-[1-[tert-butyl(dimethyl)silyl]oxypentyl]oxiran-2-yl]propan-2-ol (CID 554788) is 2-[3-[1-[tert-butyl(dimethyl)silyl]oxypentyl]oxiran-2-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[1-[tert-butyl(dimethyl)silyl]oxypentyl]oxiran-2-yl]propan-2-ol?
The canonical SMILES for 2-[3-[1-[tert-butyl(dimethyl)silyl]oxypentyl]oxiran-2-yl]propan-2-ol is CCCCC(O[Si](C)(C)C(C)(C)C)C1OC1C(C)(C)O.
What is the InChIKey of 2-[3-[1-[tert-butyl(dimethyl)silyl]oxypentyl]oxiran-2-yl]propan-2-ol?
The InChIKey is BGPCZYBAWIFTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-9-10-11-12(13-14(18-13)16(5,6)17)19-20(7,8)15(2,3)4/h12-14,17H,9-11H2,1-8H3.
What are the key properties of 2-[3-[1-[tert-butyl(dimethyl)silyl]oxypentyl]oxiran-2-yl]propan-2-ol?
2-[3-[1-[tert-butyl(dimethyl)silyl]oxypentyl]oxiran-2-yl]propan-2-ol has a molecular weight of 302.53 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[tert-butyl(dimethyl)silyl]oxypentyl]oxiran-2-yl]propan-2-ol is sourced from PubChem (CID 554788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).