(1S,2S,3S,6S)-1-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol

C8H14O4Si — CID 10013093

IUPAC(1S,2S,3S,6S)-1-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol
SMILESC[Si](C)(O)[C@]12O[C@H]1C=C[C@H](O)[C@@H]2O
InChIInChI=1S/C8H14O4Si/c1-13(2,11)8-6(12-8)4-3-5(9)7(8)10/h3-7,9-11H,1-2H3/t5-,6-,7-,8+/m0/s1
InChIKeyUPWZBAXCWSZWQX-DKXJUACHSA-N
MW202.28 g/mol
LogP-0.85
Rot. Bonds1

About (1S,2S,3S,6S)-1-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol

(1S,2S,3S,6S)-1-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol (PubChem CID 10013093) has the molecular formula C8H14O4Si and a molecular weight of 202.28 g/mol. Its IUPAC name is (1S,2S,3S,6S)-1-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol.

Molecular Properties

Compound Name(1S,2S,3S,6S)-1-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol
PubChem CID10013093
Molecular FormulaC8H14O4Si
Molecular Weight202.28 g/mol
Exact Mass202.07
IUPAC Name(1S,2S,3S,6S)-1-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol
SMILESC[Si](C)(O)[C@]12O[C@H]1C=C[C@H](O)[C@@H]2O
InChIInChI=1S/C8H14O4Si/c1-13(2,11)8-6(12-8)4-3-5(9)7(8)10/h3-7,9-11H,1-2H3/t5-,6-,7-,8+/m0/s1
InChIKeyUPWZBAXCWSZWQX-DKXJUACHSA-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': 'isolated_alkene', '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,2S,3S,6S)-1-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol?
The IUPAC name of (1S,2S,3S,6S)-1-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol (CID 10013093) is (1S,2S,3S,6S)-1-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol.
What is the SMILES notation for (1S,2S,3S,6S)-1-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol?
The canonical SMILES for (1S,2S,3S,6S)-1-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol is C[Si](C)(O)[C@]12O[C@H]1C=C[C@H](O)[C@@H]2O.
What is the InChIKey of (1S,2S,3S,6S)-1-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol?
The InChIKey is UPWZBAXCWSZWQX-DKXJUACHSA-N. The full InChI is InChI=1S/C8H14O4Si/c1-13(2,11)8-6(12-8)4-3-5(9)7(8)10/h3-7,9-11H,1-2H3/t5-,6-,7-,8+/m0/s1.
What are the key properties of (1S,2S,3S,6S)-1-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol?
(1S,2S,3S,6S)-1-[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,2S,3S,6S)-1-[hydroxy(dimethyl)silyl]-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol is sourced from PubChem (CID 10013093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).