(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenethiolan-3-ol

C22H28O2SSi — CID 11383549

IUPAC(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenethiolan-3-ol
SMILESC=C1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)SC[C@@H]1O
InChIInChI=1S/C22H28O2SSi/c1-17-20(23)16-25-21(17)15-24-26(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21,23H,1,15-16H2,2-4H3/t20-,21-/m0/s1
InChIKeyJUDDCFPFIRBMJV-SFTDATJTSA-N
MW384.62 g/mol
LogP3.60
Rot. Bonds5

About (3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenethiolan-3-ol

(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenethiolan-3-ol (PubChem CID 11383549) has the molecular formula C22H28O2SSi and a molecular weight of 384.62 g/mol. Its IUPAC name is (3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenethiolan-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenethiolan-3-ol
PubChem CID11383549
Molecular FormulaC22H28O2SSi
Molecular Weight384.62 g/mol
Exact Mass384.16
IUPAC Name(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenethiolan-3-ol
SMILESC=C1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)SC[C@@H]1O
InChIInChI=1S/C22H28O2SSi/c1-17-20(23)16-25-21(17)15-24-26(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21,23H,1,15-16H2,2-4H3/t20-,21-/m0/s1
InChIKeyJUDDCFPFIRBMJV-SFTDATJTSA-N
XLogP3.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.62
LogP ≤ 53.60
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

trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol
CID 101065622
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol
CID 122207177
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol
CID 10692836
(2S,3S,4aR,6S,7S,8aS,9aR,10aR)-6,7-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-2,3-diol
CID 100959653
[(1S,2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-3-methylidenecyclopentyl] benzoate
CID 56651565
(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodooxan-2-ol
CID 171122436
(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 101017191
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
CID 162409626
(1R,4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 10571070
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol
CID 71138268

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenethiolan-3-ol?
The IUPAC name of (3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenethiolan-3-ol (CID 11383549) is (3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenethiolan-3-ol.
What is the SMILES notation for (3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenethiolan-3-ol?
The canonical SMILES for (3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenethiolan-3-ol is C=C1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)SC[C@@H]1O.
What is the InChIKey of (3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenethiolan-3-ol?
The InChIKey is JUDDCFPFIRBMJV-SFTDATJTSA-N. The full InChI is InChI=1S/C22H28O2SSi/c1-17-20(23)16-25-21(17)15-24-26(22(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21,23H,1,15-16H2,2-4H3/t20-,21-/m0/s1.
What are the key properties of (3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenethiolan-3-ol?
(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenethiolan-3-ol has a molecular weight of 384.62 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenethiolan-3-ol is sourced from PubChem (CID 11383549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).