(4S,5R,6R)-6-[(Z)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]-4-hydroxy-5-methyloxan-2-one

C26H34O4Si — CID 11517779

IUPAC(4S,5R,6R)-6-[(Z)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]-4-hydroxy-5-methyloxan-2-one
SMILESC/C(=C/[C@H]1OC(=O)C[C@H](O)[C@H]1C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H34O4Si/c1-19(16-24-20(2)23(27)17-25(28)30-24)18-29-31(26(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-16,20,23-24,27H,17-18H2,1-5H3/b19-16-/t20-,23+,24-/m1/s1
InChIKeySNJYXPJOOQRJGR-MWCFODBRSA-N
MW438.64 g/mol
LogP3.82
Rot. Bonds6

About (4S,5R,6R)-6-[(Z)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]-4-hydroxy-5-methyloxan-2-one

(4S,5R,6R)-6-[(Z)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]-4-hydroxy-5-methyloxan-2-one (PubChem CID 11517779) has the molecular formula C26H34O4Si and a molecular weight of 438.64 g/mol. Its IUPAC name is (4S,5R,6R)-6-[(Z)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]-4-hydroxy-5-methyloxan-2-one.

Molecular Properties

Compound Name(4S,5R,6R)-6-[(Z)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]-4-hydroxy-5-methyloxan-2-one
PubChem CID11517779
Molecular FormulaC26H34O4Si
Molecular Weight438.64 g/mol
Exact Mass438.22
IUPAC Name(4S,5R,6R)-6-[(Z)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]-4-hydroxy-5-methyloxan-2-one
SMILESC/C(=C/[C@H]1OC(=O)C[C@H](O)[C@H]1C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H34O4Si/c1-19(16-24-20(2)23(27)17-25(28)30-24)18-29-31(26(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-16,20,23-24,27H,17-18H2,1-5H3/b19-16-/t20-,23+,24-/m1/s1
InChIKeySNJYXPJOOQRJGR-MWCFODBRSA-N
XLogP3.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.64
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one
CID 163054050
(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4-methyloxolan-2-one
CID 11731767
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
(3aS,4S,5S,6aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 10573641
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
CID 19358695
tert-butyl-[(Z)-2-methylhex-2-enoxy]-diphenylsilane
CID 71217058
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-hydroxyprop-1-en-2-yl)oxolan-2-one
CID 15748769
tert-butyl-[(E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoxy]-diphenylsilane
CID 46854164
O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine
CID 24808385
tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane
CID 135032541
(2S,3aS,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 11188665

Frequently Asked Questions

What is the IUPAC name of (4S,5R,6R)-6-[(Z)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]-4-hydroxy-5-methyloxan-2-one?
The IUPAC name of (4S,5R,6R)-6-[(Z)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]-4-hydroxy-5-methyloxan-2-one (CID 11517779) is (4S,5R,6R)-6-[(Z)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]-4-hydroxy-5-methyloxan-2-one.
What is the SMILES notation for (4S,5R,6R)-6-[(Z)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]-4-hydroxy-5-methyloxan-2-one?
The canonical SMILES for (4S,5R,6R)-6-[(Z)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]-4-hydroxy-5-methyloxan-2-one is C/C(=C/[C@H]1OC(=O)C[C@H](O)[C@H]1C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S,5R,6R)-6-[(Z)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]-4-hydroxy-5-methyloxan-2-one?
The InChIKey is SNJYXPJOOQRJGR-MWCFODBRSA-N. The full InChI is InChI=1S/C26H34O4Si/c1-19(16-24-20(2)23(27)17-25(28)30-24)18-29-31(26(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-16,20,23-24,27H,17-18H2,1-5H3/b19-16-/t20-,23+,24-/m1/s1.
What are the key properties of (4S,5R,6R)-6-[(Z)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]-4-hydroxy-5-methyloxan-2-one?
(4S,5R,6R)-6-[(Z)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]-4-hydroxy-5-methyloxan-2-one has a molecular weight of 438.64 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,6R)-6-[(Z)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylprop-1-enyl]-4-hydroxy-5-methyloxan-2-one is sourced from PubChem (CID 11517779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).