(2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol

C18H34O3Si — CID 134841709

IUPAC(2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol
SMILESCC1=C[C@H](C)[C@@H](/C=C(\C)CCO[Si](C)(C)C(C)(C)C)OC1O
InChIInChI=1S/C18H34O3Si/c1-13(9-10-20-22(7,8)18(4,5)6)11-16-14(2)12-15(3)17(19)21-16/h11-12,14,16-17,19H,9-10H2,1-8H3/b13-11+/t14-,16+,17?/m0/s1
InChIKeyWODZTRJVDCBWQK-XAKRNBOKSA-N
MW326.55 g/mol
LogP4.64
Rot. Bonds5

About (2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol

(2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol (PubChem CID 134841709) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is (2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name(2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol
PubChem CID134841709
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name(2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol
SMILESCC1=C[C@H](C)[C@@H](/C=C(\C)CCO[Si](C)(C)C(C)(C)C)OC1O
InChIInChI=1S/C18H34O3Si/c1-13(9-10-20-22(7,8)18(4,5)6)11-16-14(2)12-15(3)17(19)21-16/h11-12,14,16-17,19H,9-10H2,1-8H3/b13-11+/t14-,16+,17?/m0/s1
InChIKeyWODZTRJVDCBWQK-XAKRNBOKSA-N
XLogP4.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.64
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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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of (2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol (CID 134841709) is (2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for (2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for (2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol is CC1=C[C@H](C)[C@@H](/C=C(\C)CCO[Si](C)(C)C(C)(C)C)OC1O.
What is the InChIKey of (2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is WODZTRJVDCBWQK-XAKRNBOKSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-13(9-10-20-22(7,8)18(4,5)6)11-16-14(2)12-15(3)17(19)21-16/h11-12,14,16-17,19H,9-10H2,1-8H3/b13-11+/t14-,16+,17?/m0/s1.
What are the key properties of (2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol?
(2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 326.55 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 134841709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).