(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-ol

C13H26O3Si — CID 11265400

IUPAC(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-ol
SMILESC=CC[C@@H]1C(O)OC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-7-8-10-11(9-15-12(10)14)16-17(5,6)13(2,3)4/h7,10-12,14H,1,8-9H2,2-6H3/t10-,11-,12?/m0/s1
InChIKeyRJDYEOBKVHQHRO-NDQFZYFBSA-N
MW258.43 g/mol
LogP2.92
Rot. Bonds4

About (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-ol

(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-ol (PubChem CID 11265400) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-ol.

Molecular Properties

Compound Name(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-ol
PubChem CID11265400
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-ol
SMILESC=CC[C@@H]1C(O)OC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-7-8-10-11(9-15-12(10)14)16-17(5,6)13(2,3)4/h7,10-12,14H,1,8-9H2,2-6H3/t10-,11-,12?/m0/s1
InChIKeyRJDYEOBKVHQHRO-NDQFZYFBSA-N
XLogP2.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.92
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

tert-butyl-dimethyl-[(3R,4S)-4-prop-2-enyl-5-trimethylsilyloxyoxolan-3-yl]oxysilane
CID 11232794
(2R,3S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-3-prop-2-enyloxolan-3-ol
CID 10566309
(2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-3-prop-2-enyloxolan-3-ol
CID 10566310
5-Methoxy-4-prop-2-enyloxolan-3-ol
CID 53857890
(3R,4S,5S)-5-methoxy-4-prop-2-enyloxolan-3-ol
CID 57244302
[2-(2-Methylpent-4-enyl)-1,3-dioxolan-4-yl]methanol
CID 69669458
(3R,4S)-5-methoxy-4-prop-2-enyloxolan-3-ol
CID 10034875
(3S,4R)-5-methoxy-4-prop-2-enyloxolan-3-ol
CID 10351946
(3S,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-trimethylsilylhex-5-en-1-yn-3-ol
CID 11780547
(3S)-5-methoxy-4-(prop-2-en-1-yl)oxolan-3-ol
CID 49871726

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-ol?
The IUPAC name of (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-ol (CID 11265400) is (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-ol.
What is the SMILES notation for (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-ol?
The canonical SMILES for (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-ol is C=CC[C@@H]1C(O)OC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-ol?
The InChIKey is RJDYEOBKVHQHRO-NDQFZYFBSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-7-8-10-11(9-15-12(10)14)16-17(5,6)13(2,3)4/h7,10-12,14H,1,8-9H2,2-6H3/t10-,11-,12?/m0/s1.
What are the key properties of (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-ol?
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-ol has a molecular weight of 258.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enyloxolan-2-ol is sourced from PubChem (CID 11265400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).