(2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol

C18H34O3Si — CID 11472865

IUPAC(2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@@H](O)[C@H](C)[C@H](/C=C/C)O1
InChIInChI=1S/C18H34O3Si/c1-9-11-16-13(3)14(19)12-17(20-16)15(10-2)21-22(7,8)18(4,5)6/h9-11,13-17,19H,2,12H2,1,3-8H3/b11-9+/t13-,14+,15+,16-,17-/m0/s1
InChIKeyZPKPCOMRYVWLML-SUJXXJTQSA-N
MW326.55 g/mol
LogP4.29
Rot. Bonds5

About (2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol

(2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol (PubChem CID 11472865) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is (2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol.

Molecular Properties

Compound Name(2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol
PubChem CID11472865
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name(2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@@H](O)[C@H](C)[C@H](/C=C/C)O1
InChIInChI=1S/C18H34O3Si/c1-9-11-16-13(3)14(19)12-17(20-16)15(10-2)21-22(7,8)18(4,5)6/h9-11,13-17,19H,2,12H2,1,3-8H3/b11-9+/t13-,14+,15+,16-,17-/m0/s1
InChIKeyZPKPCOMRYVWLML-SUJXXJTQSA-N
XLogP4.29
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 ≤ 54.29
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 (2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol with MolForge

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Related Compounds

tert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 91078694
[(2R,3S,4S,6R)-6-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-prop-1-enyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 90771901
tert-butyl-[(1R)-1-cyclopropylprop-2-enoxy]-dimethylsilane
CID 67046197
(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
CID 46187581
1-[(2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 11301397
(3S,4R,5R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-4-ethenyl-5-[(E)-hydroxyiminomethyl]oxolan-2-one
CID 177424845
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
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(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
[(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 10709515
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CID 14644027
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol?
The IUPAC name of (2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol (CID 11472865) is (2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol.
What is the SMILES notation for (2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol?
The canonical SMILES for (2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@@H](O)[C@H](C)[C@H](/C=C/C)O1.
What is the InChIKey of (2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol?
The InChIKey is ZPKPCOMRYVWLML-SUJXXJTQSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-9-11-16-13(3)14(19)12-17(20-16)15(10-2)21-22(7,8)18(4,5)6/h9-11,13-17,19H,2,12H2,1,3-8H3/b11-9+/t13-,14+,15+,16-,17-/m0/s1.
What are the key properties of (2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol?
(2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol has a molecular weight of 326.55 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol is sourced from PubChem (CID 11472865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).