(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)hept-6-en-2-ol

C28H38O2SSi — CID 10004761

IUPAC(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)hept-6-en-2-ol
SMILESC=CC[C@@H](C[C@H](O)CC1=CCCCS1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H38O2SSi/c1-5-14-24(21-23(29)22-25-15-12-13-20-31-25)30-32(28(2,3)4,26-16-8-6-9-17-26)27-18-10-7-11-19-27/h5-11,15-19,23-24,29H,1,12-14,20-22H2,2-4H3/t23-,24-/m0/s1
InChIKeyBCZHERYSSTWTEM-ZEQRLZLVSA-N
MW466.76 g/mol
LogP6.06
Rot. Bonds10

About (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)hept-6-en-2-ol

(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)hept-6-en-2-ol (PubChem CID 10004761) has the molecular formula C28H38O2SSi and a molecular weight of 466.76 g/mol. Its IUPAC name is (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)hept-6-en-2-ol.

Molecular Properties

Compound Name(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)hept-6-en-2-ol
PubChem CID10004761
Molecular FormulaC28H38O2SSi
Molecular Weight466.76 g/mol
Exact Mass466.24
IUPAC Name(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)hept-6-en-2-ol
SMILESC=CC[C@@H](C[C@H](O)CC1=CCCCS1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H38O2SSi/c1-5-14-24(21-23(29)22-25-15-12-13-20-31-25)30-32(28(2,3)4,26-16-8-6-9-17-26)27-18-10-7-11-19-27/h5-11,15-19,23-24,29H,1,12-14,20-22H2,2-4H3/t23-,24-/m0/s1
InChIKeyBCZHERYSSTWTEM-ZEQRLZLVSA-N
XLogP6.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.76
LogP ≤ 56.06
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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Related Compounds

(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-ol
CID 10915232
TBDPS(-3)[TBDPS(-5)]4-thio-D-Araf2F
CID 89975654
1-(Tert-butyl-diphenylsilanyloxy)-5-hexen-3-ol
CID 14761231
3-Methylsulfanyl-5-triphenylsilylcyclohex-3-en-1-ol
CID 10894707
(3R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-3-ol
CID 11068613
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-, (3S)-
CID 11416932
[(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol
CID 11588825
[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol
CID 11610429
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(E)-2-phenylethenyl]-1,3-dithian-2-yl]hept-6-en-2-ol
CID 11677043
(4S,6S)-6-[tert-butyl(diphenyl)silyl]oxynon-1-en-4-ol
CID 24828226
(3S)-3-[tert-butyl(diphenyl)silyl]oxyhex-5-en-1-ol
CID 56926952
(4r,6s)-6-(t-Butyldiphenylsilyloxy)hept-1-en-4-ol
CID 71812684

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)hept-6-en-2-ol?
The IUPAC name of (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)hept-6-en-2-ol (CID 10004761) is (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)hept-6-en-2-ol.
What is the SMILES notation for (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)hept-6-en-2-ol?
The canonical SMILES for (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)hept-6-en-2-ol is C=CC[C@@H](C[C@H](O)CC1=CCCCS1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)hept-6-en-2-ol?
The InChIKey is BCZHERYSSTWTEM-ZEQRLZLVSA-N. The full InChI is InChI=1S/C28H38O2SSi/c1-5-14-24(21-23(29)22-25-15-12-13-20-31-25)30-32(28(2,3)4,26-16-8-6-9-17-26)27-18-10-7-11-19-27/h5-11,15-19,23-24,29H,1,12-14,20-22H2,2-4H3/t23-,24-/m0/s1.
What are the key properties of (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)hept-6-en-2-ol?
(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)hept-6-en-2-ol has a molecular weight of 466.76 g/mol, XLogP of 6.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(3,4-dihydro-2H-thiopyran-6-yl)hept-6-en-2-ol is sourced from PubChem (CID 10004761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).