3-(3-methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol

C16H34O3Si — CID 14967405

IUPAC3-(3-methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol
SMILESCC1OC1C(C)C(O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O3Si/c1-10(2)20(11(3)4,12(5)6)18-9-15(17)13(7)16-14(8)19-16/h10-17H,9H2,1-8H3
InChIKeyNDLHZVIMZQCGCM-UHFFFAOYSA-N
MW302.53 g/mol
LogP3.96
Rot. Bonds8

About 3-(3-methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol

3-(3-methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol (PubChem CID 14967405) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is 3-(3-methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol.

Molecular Properties

Compound Name3-(3-methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol
PubChem CID14967405
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name3-(3-methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol
SMILESCC1OC1C(C)C(O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O3Si/c1-10(2)20(11(3)4,12(5)6)18-9-15(17)13(7)16-14(8)19-16/h10-17H,9H2,1-8H3
InChIKeyNDLHZVIMZQCGCM-UHFFFAOYSA-N
XLogP3.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 53.96
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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Related Compounds

(2R,3R)-3-[(2R,3R)-3-methyloxiran-2-yl]-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 11023066
(2R,3R)-3-[(2R,3S)-3-methyloxiran-2-yl]-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 11358562
[(2R,3R)-3-[(2R)-2-methyl-2-tri(propan-2-yl)silyloxypentyl]oxiran-2-yl]methanol
CID 11688526
(2R,3S)-3-[(2R,3R)-3-methyloxiran-2-yl]-1-tri(propan-2-yl)silyloxybutan-2-ol
CID 12061955
(2R,3R)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]butane-1,2,4-triol
CID 14061530
[(2S,3S)-3-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]oxiran-2-yl]methanol
CID 46933875
[(2R,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol
CID 54597457
[(2S,3S)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxiran-2-yl]methanol
CID 134842022
(1R,2S)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]propane-1,2,3-triol
CID 134855207
[(2R,3R)-3-[(2S,3S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptan-2-yl]-2-methyloxiran-2-yl]methanol
CID 134931175
[(2S,3S)-3-[(2S,3S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]heptan-2-yl]-2-methyloxiran-2-yl]methanol
CID 134931176
(1S)-1-[(2S,3S)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]-3-tri(propan-2-yl)silylprop-2-yn-1-ol
CID 134945615

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol?
The IUPAC name of 3-(3-methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol (CID 14967405) is 3-(3-methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol.
What is the SMILES notation for 3-(3-methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol?
The canonical SMILES for 3-(3-methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol is CC1OC1C(C)C(O)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-(3-methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol?
The InChIKey is NDLHZVIMZQCGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-10(2)20(11(3)4,12(5)6)18-9-15(17)13(7)16-14(8)19-16/h10-17H,9H2,1-8H3.
What are the key properties of 3-(3-methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol?
3-(3-methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol has a molecular weight of 302.53 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyloxiran-2-yl)-1-tri(propan-2-yl)silyloxybutan-2-ol is sourced from PubChem (CID 14967405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).