(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol

C22H28O3Si — CID 101017191

IUPAC(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@@H](O)[C@H]2C[C@H]21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O3Si/c1-22(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-15-20-18-14-19(18)21(23)25-20/h4-13,18-21,23H,14-15H2,1-3H3/t18-,19+,20-,21-/m1/s1
InChIKeyTUXNFCLUXGQZKC-PLACYPQZSA-N
MW368.55 g/mol
LogP2.92
Rot. Bonds5

About (1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol

(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol (PubChem CID 101017191) has the molecular formula C22H28O3Si and a molecular weight of 368.55 g/mol. Its IUPAC name is (1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
PubChem CID101017191
Molecular FormulaC22H28O3Si
Molecular Weight368.55 g/mol
Exact Mass368.18
IUPAC Name(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@@H](O)[C@H]2C[C@H]21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O3Si/c1-22(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-15-20-18-14-19(18)21(23)25-20/h4-13,18-21,23H,14-15H2,1-3H3/t18-,19+,20-,21-/m1/s1
InChIKeyTUXNFCLUXGQZKC-PLACYPQZSA-N
XLogP2.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 10571070
tert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane
CID 11101116
(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
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylselanyloxolan-3-ol
CID 10896506
(2R,3R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2-hydroxypropan-2-yloxy)oxolan-3-ol
CID 144948924
(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 90339346
(3aR,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 73056658
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 101223113
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxyoxane-3,4-diol
CID 11683418
(1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol
CID 11452775
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 3319542

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol?
The IUPAC name of (1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol (CID 101017191) is (1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for (1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for (1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol is CC(C)(C)[Si](OC[C@H]1O[C@@H](O)[C@H]2C[C@H]21)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol?
The InChIKey is TUXNFCLUXGQZKC-PLACYPQZSA-N. The full InChI is InChI=1S/C22H28O3Si/c1-22(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-15-20-18-14-19(18)21(23)25-20/h4-13,18-21,23H,14-15H2,1-3H3/t18-,19+,20-,21-/m1/s1.
What are the key properties of (1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol?
(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol has a molecular weight of 368.55 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 101017191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).