(1S,2R,3S)-4-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol

C8H14O4Si — CID 58805452

IUPAC(1S,2R,3S)-4-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol
SMILESC[Si](C)(O)C1=CC2O[C@H]2[C@H](O)[C@@H]1O
InChIInChI=1S/C8H14O4Si/c1-13(2,11)5-3-4-8(12-4)7(10)6(5)9/h3-4,6-11H,1-2H3/t4?,6-,7-,8-/m1/s1
InChIKeyBYIHXULQFYHJAI-NPPIPOFDSA-N
MW202.28 g/mol
LogP-0.85
Rot. Bonds1

About (1S,2R,3S)-4-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol

(1S,2R,3S)-4-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol (PubChem CID 58805452) has the molecular formula C8H14O4Si and a molecular weight of 202.28 g/mol. Its IUPAC name is (1S,2R,3S)-4-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol.

Molecular Properties

Compound Name(1S,2R,3S)-4-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol
PubChem CID58805452
Molecular FormulaC8H14O4Si
Molecular Weight202.28 g/mol
Exact Mass202.07
IUPAC Name(1S,2R,3S)-4-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol
SMILESC[Si](C)(O)C1=CC2O[C@H]2[C@H](O)[C@@H]1O
InChIInChI=1S/C8H14O4Si/c1-13(2,11)5-3-4-8(12-4)7(10)6(5)9/h3-4,6-11H,1-2H3/t4?,6-,7-,8-/m1/s1
InChIKeyBYIHXULQFYHJAI-NPPIPOFDSA-N
XLogP-0.85
TPSA73.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S)-4-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol?
The IUPAC name of (1S,2R,3S)-4-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol (CID 58805452) is (1S,2R,3S)-4-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol.
What is the SMILES notation for (1S,2R,3S)-4-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol?
The canonical SMILES for (1S,2R,3S)-4-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol is C[Si](C)(O)C1=CC2O[C@H]2[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2R,3S)-4-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol?
The InChIKey is BYIHXULQFYHJAI-NPPIPOFDSA-N. The full InChI is InChI=1S/C8H14O4Si/c1-13(2,11)5-3-4-8(12-4)7(10)6(5)9/h3-4,6-11H,1-2H3/t4?,6-,7-,8-/m1/s1.
What are the key properties of (1S,2R,3S)-4-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol?
(1S,2R,3S)-4-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol has a molecular weight of 202.28 g/mol, XLogP of -0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-4-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol is sourced from PubChem (CID 58805452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).