(1R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]prop-2-en-1-ol

C16H32O3Si — CID 11449451

IUPAC(1R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]prop-2-en-1-ol
SMILESC=C[C@@H](O)[C@H]1C[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H32O3Si/c1-8-13(17)15-11-12(2)14(19-15)9-10-18-20(6,7)16(3,4)5/h8,12-15,17H,1,9-11H2,2-7H3/t12-,13-,14+,15-/m1/s1
InChIKeyIAYUUYVLLIBIRA-APIJFGDWSA-N
MW300.51 g/mol
LogP3.74
Rot. Bonds6

About (1R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]prop-2-en-1-ol

(1R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]prop-2-en-1-ol (PubChem CID 11449451) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is (1R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]prop-2-en-1-ol
PubChem CID11449451
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name(1R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]prop-2-en-1-ol
SMILESC=C[C@@H](O)[C@H]1C[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H32O3Si/c1-8-13(17)15-11-12(2)14(19-15)9-10-18-20(6,7)16(3,4)5/h8,12-15,17H,1,9-11H2,2-7H3/t12-,13-,14+,15-/m1/s1
InChIKeyIAYUUYVLLIBIRA-APIJFGDWSA-N
XLogP3.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[(2S,4S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-2-[(4-methoxyphenyl)methoxy]ethanol
CID 10502461
2-[(2R,3R,5S,6S)-6-[(2R)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]ethoxy-tert-butyl-dimethylsilane
CID 101451500
(2R)-1-[(2S,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]-6-methylhept-3-yn-2-ol
CID 16726244
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 45101596
tert-butyl-dimethyl-[2-[(2R,3S)-3-methyl-6-methylideneoxan-2-yl]ethoxy]silane
CID 10564008
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
[(2R,3S,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 175776548
(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
CID 125493831
[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methanol
CID 140982899
[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]boronic acid
CID 169092266
[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]methanol
CID 11459641
tert-butyl-[2-[(2R,3R,6S)-3-(2-methoxyethoxymethoxy)-6-prop-2-enyloxan-2-yl]ethoxy]-dimethylsilane
CID 46894694

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]prop-2-en-1-ol?
The IUPAC name of (1R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]prop-2-en-1-ol (CID 11449451) is (1R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (1R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]prop-2-en-1-ol?
The canonical SMILES for (1R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]prop-2-en-1-ol is C=C[C@@H](O)[C@H]1C[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (1R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]prop-2-en-1-ol?
The InChIKey is IAYUUYVLLIBIRA-APIJFGDWSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-8-13(17)15-11-12(2)14(19-15)9-10-18-20(6,7)16(3,4)5/h8,12-15,17H,1,9-11H2,2-7H3/t12-,13-,14+,15-/m1/s1.
What are the key properties of (1R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]prop-2-en-1-ol?
(1R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]prop-2-en-1-ol has a molecular weight of 300.51 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 11449451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).