(E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-en-1-ol

C16H32O3Si — CID 11055705

IUPAC(E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CC/C=C/CO
InChIInChI=1S/C16H32O3Si/c1-16(2,3)20(4,5)19-15-11-9-13-18-14(15)10-7-6-8-12-17/h6,8,14-15,17H,7,9-13H2,1-5H3/b8-6+/t14-,15+/m1/s1
InChIKeyOZUTXFQGECXBIN-OSZGCLPASA-N
MW300.51 g/mol
LogP3.88
Rot. Bonds6

About (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-en-1-ol

(E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-en-1-ol (PubChem CID 11055705) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-en-1-ol
PubChem CID11055705
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name(E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CC/C=C/CO
InChIInChI=1S/C16H32O3Si/c1-16(2,3)20(4,5)19-15-11-9-13-18-14(15)10-7-6-8-12-17/h6,8,14-15,17H,7,9-13H2,1-5H3/b8-6+/t14-,15+/m1/s1
InChIKeyOZUTXFQGECXBIN-OSZGCLPASA-N
XLogP3.88
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 ≤ 53.88
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'}

Analyze (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 44397489
(E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-en-1-ol
CID 44397485
(E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 10967661
(Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 44420199
(E,4S)-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pent-2-en-1-ol
CID 16680394
(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-2-en-1-ol
CID 134995128
tert-butyl-[(2S,3R)-2-[(2E,5E,8E)-deca-2,5,8-trienyl]oxan-3-yl]oxy-dimethylsilane
CID 135077331
tert-butyl-dimethyl-[(2R,3S)-2-pent-4-enyloxan-3-yl]oxysilane
CID 10636839
(S)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 10687754
(4aS,6S,7S,8Z,10aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,4a,6,7,10,10a-octahydropyrano[3,2-b]oxocin-7-ol
CID 12186177
(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol
CID 101349439
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxydodec-2-en-1-ol
CID 101549315

Frequently Asked Questions

What is the IUPAC name of (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-en-1-ol?
The IUPAC name of (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-en-1-ol (CID 11055705) is (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-en-1-ol.
What is the SMILES notation for (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-en-1-ol?
The canonical SMILES for (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-en-1-ol is CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CC/C=C/CO.
What is the InChIKey of (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-en-1-ol?
The InChIKey is OZUTXFQGECXBIN-OSZGCLPASA-N. The full InChI is InChI=1S/C16H32O3Si/c1-16(2,3)20(4,5)19-15-11-9-13-18-14(15)10-7-6-8-12-17/h6,8,14-15,17H,7,9-13H2,1-5H3/b8-6+/t14-,15+/m1/s1.
What are the key properties of (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-en-1-ol?
(E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-en-1-ol has a molecular weight of 300.51 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-en-1-ol is sourced from PubChem (CID 11055705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).