(2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-1,3-dithian-2-yl]pentan-2-ol

C26H54O3S2Si2 — CID 59051785

IUPAC(2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-1,3-dithian-2-yl]pentan-2-ol
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C1(C[C@@H](O)CCCO[Si](C)(C)C(C)(C)C)SCCCS1
InChIInChI=1S/C26H54O3S2Si2/c1-13-23(29-33(11,12)25(6,7)8)21(2)26(30-18-15-19-31-26)20-22(27)16-14-17-28-32(9,10)24(3,4)5/h13,21-23,27H,1,14-20H2,2-12H3/t21-,22+,23+/m1/s1
InChIKeyLZWNHKSJEPOBNW-VJBWXMMDSA-N
MW535.02 g/mol
LogP8.32
Rot. Bonds12

About (2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-1,3-dithian-2-yl]pentan-2-ol

(2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-1,3-dithian-2-yl]pentan-2-ol (PubChem CID 59051785) has the molecular formula C26H54O3S2Si2 and a molecular weight of 535.02 g/mol. Its IUPAC name is (2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-1,3-dithian-2-yl]pentan-2-ol.

Molecular Properties

Compound Name(2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-1,3-dithian-2-yl]pentan-2-ol
PubChem CID59051785
Molecular FormulaC26H54O3S2Si2
Molecular Weight535.02 g/mol
Exact Mass534.31
IUPAC Name(2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-1,3-dithian-2-yl]pentan-2-ol
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C1(C[C@@H](O)CCCO[Si](C)(C)C(C)(C)C)SCCCS1
InChIInChI=1S/C26H54O3S2Si2/c1-13-23(29-33(11,12)25(6,7)8)21(2)26(30-18-15-19-31-26)20-22(27)16-14-17-28-32(9,10)24(3,4)5/h13,21-23,27H,1,14-20H2,2-12H3/t21-,22+,23+/m1/s1
InChIKeyLZWNHKSJEPOBNW-VJBWXMMDSA-N
XLogP8.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.02
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 45101596
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
(2S,3R,4R)-1-[2-[(E,2R,3S)-7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-3-trimethylsilyloxyhept-4-en-2-yl]-1,3-dithian-2-yl]-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-3-methylheptan-2-ol
CID 122372804
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine
CID 121015221
1-amino-5-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 101445135
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
(3S,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol
CID 123553696
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
(E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol
CID 23253498
(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
CID 46187581
(3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol
CID 15605935
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
CID 14175294

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-1,3-dithian-2-yl]pentan-2-ol?
The IUPAC name of (2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-1,3-dithian-2-yl]pentan-2-ol (CID 59051785) is (2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-1,3-dithian-2-yl]pentan-2-ol.
What is the SMILES notation for (2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-1,3-dithian-2-yl]pentan-2-ol?
The canonical SMILES for (2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-1,3-dithian-2-yl]pentan-2-ol is C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C1(C[C@@H](O)CCCO[Si](C)(C)C(C)(C)C)SCCCS1.
What is the InChIKey of (2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-1,3-dithian-2-yl]pentan-2-ol?
The InChIKey is LZWNHKSJEPOBNW-VJBWXMMDSA-N. The full InChI is InChI=1S/C26H54O3S2Si2/c1-13-23(29-33(11,12)25(6,7)8)21(2)26(30-18-15-19-31-26)20-22(27)16-14-17-28-32(9,10)24(3,4)5/h13,21-23,27H,1,14-20H2,2-12H3/t21-,22+,23+/m1/s1.
What are the key properties of (2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-1,3-dithian-2-yl]pentan-2-ol?
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-1,3-dithian-2-yl]pentan-2-ol has a molecular weight of 535.02 g/mol, XLogP of 8.32, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-1,3-dithian-2-yl]pentan-2-ol is sourced from PubChem (CID 59051785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).