(1R)-1-[(2S,3S,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-8-yl]propan-1-ol

C23H48O4Si2 — CID 11316745

IUPAC(1R)-1-[(2S,3S,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-8-yl]propan-1-ol
SMILESCC[C@@H](O)[C@H]1C/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C23H48O4Si2/c1-12-18(24)19-15-13-14-16-20(27-29(10,11)23(5,6)7)21(26-19)17-25-28(8,9)22(2,3)4/h13-14,18-21,24H,12,15-17H2,1-11H3/b14-13-/t18-,19-,20+,21+/m1/s1
InChIKeyIDCVWGBMXWOXQZ-KSMBXFNUSA-N
MW444.81 g/mol
LogP6.27
Rot. Bonds7

About (1R)-1-[(2S,3S,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-8-yl]propan-1-ol

(1R)-1-[(2S,3S,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-8-yl]propan-1-ol (PubChem CID 11316745) has the molecular formula C23H48O4Si2 and a molecular weight of 444.81 g/mol. Its IUPAC name is (1R)-1-[(2S,3S,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-8-yl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2S,3S,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-8-yl]propan-1-ol
PubChem CID11316745
Molecular FormulaC23H48O4Si2
Molecular Weight444.81 g/mol
Exact Mass444.31
IUPAC Name(1R)-1-[(2S,3S,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-8-yl]propan-1-ol
SMILESCC[C@@H](O)[C@H]1C/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C23H48O4Si2/c1-12-18(24)19-15-13-14-16-20(27-29(10,11)23(5,6)7)21(26-19)17-25-28(8,9)22(2,3)4/h13-14,18-21,24H,12,15-17H2,1-11H3/b14-13-/t18-,19-,20+,21+/m1/s1
InChIKeyIDCVWGBMXWOXQZ-KSMBXFNUSA-N
XLogP6.27
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.81
LogP ≤ 56.27
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'}

Analyze (1R)-1-[(2S,3S,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-8-yl]propan-1-ol with MolForge

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Related Compounds

(1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11569387
(Z,1R)-1-[(2R,3R,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-trimethylsilylhex-3-en-5-yn-1-ol
CID 54608568
[(2R,3R,6Z,9R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-9-yl]methanol
CID 49844816
(1S,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 91998628
(3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxyhex-1-en-3-ol
CID 101564704
[(2R,3aS,5R,7Z,9aS)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin-2-yl]methanol
CID 138963584
(1S,3Z,6Z)-9-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138968873
(1R,3Z,6Z)-9-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138968875
(2S,3R,6S,7R)-2,7-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7-tetrahydrooxepine-3,6-diol
CID 11015279
(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
(2S,3R,6S,7R)-2,7-bis[tri(propan-2-yl)silyloxymethyl]-2,3,6,7-tetrahydrooxepine-3,6-diol
CID 100966710
(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-ene-1,2-diol
CID 12019916

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,3S,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-8-yl]propan-1-ol?
The IUPAC name of (1R)-1-[(2S,3S,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-8-yl]propan-1-ol (CID 11316745) is (1R)-1-[(2S,3S,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-8-yl]propan-1-ol.
What is the SMILES notation for (1R)-1-[(2S,3S,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-8-yl]propan-1-ol?
The canonical SMILES for (1R)-1-[(2S,3S,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-8-yl]propan-1-ol is CC[C@@H](O)[C@H]1C/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (1R)-1-[(2S,3S,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-8-yl]propan-1-ol?
The InChIKey is IDCVWGBMXWOXQZ-KSMBXFNUSA-N. The full InChI is InChI=1S/C23H48O4Si2/c1-12-18(24)19-15-13-14-16-20(27-29(10,11)23(5,6)7)21(26-19)17-25-28(8,9)22(2,3)4/h13-14,18-21,24H,12,15-17H2,1-11H3/b14-13-/t18-,19-,20+,21+/m1/s1.
What are the key properties of (1R)-1-[(2S,3S,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-8-yl]propan-1-ol?
(1R)-1-[(2S,3S,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-8-yl]propan-1-ol has a molecular weight of 444.81 g/mol, XLogP of 6.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,3S,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,7,8-tetrahydro-2H-oxocin-8-yl]propan-1-ol is sourced from PubChem (CID 11316745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).