(1R)-1-[(3aR,5R,6R,6aR)-6-ethenyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol

C11H18O6 — CID 23252584

IUPAC(1R)-1-[(3aR,5R,6R,6aR)-6-ethenyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
SMILESC=C[C@@]1(O)[C@@H]([C@H](O)CO)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C11H18O6/c1-4-11(14)7(6(13)5-12)15-9-8(11)16-10(2,3)17-9/h4,6-9,12-14H,1,5H2,2-3H3/t6-,7-,8+,9-,11-/m1/s1
InChIKeySXBHSOOTSJWRQL-ZBGLXGBJSA-N
MW246.26 g/mol
LogP-0.87
Rot. Bonds3

About (1R)-1-[(3aR,5R,6R,6aR)-6-ethenyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol

(1R)-1-[(3aR,5R,6R,6aR)-6-ethenyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol (PubChem CID 23252584) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is (1R)-1-[(3aR,5R,6R,6aR)-6-ethenyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(3aR,5R,6R,6aR)-6-ethenyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
PubChem CID23252584
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Name(1R)-1-[(3aR,5R,6R,6aR)-6-ethenyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
SMILESC=C[C@@]1(O)[C@@H]([C@H](O)CO)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C11H18O6/c1-4-11(14)7(6(13)5-12)15-9-8(11)16-10(2,3)17-9/h4,6-9,12-14H,1,5H2,2-3H3/t6-,7-,8+,9-,11-/m1/s1
InChIKeySXBHSOOTSJWRQL-ZBGLXGBJSA-N
XLogP-0.87
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3aR,5R,6R,6aR)-6-ethenyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(3aR,5R,6R,6aR)-6-ethenyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol (CID 23252584) is (1R)-1-[(3aR,5R,6R,6aR)-6-ethenyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(3aR,5R,6R,6aR)-6-ethenyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(3aR,5R,6R,6aR)-6-ethenyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol is C=C[C@@]1(O)[C@@H]([C@H](O)CO)O[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of (1R)-1-[(3aR,5R,6R,6aR)-6-ethenyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol?
The InChIKey is SXBHSOOTSJWRQL-ZBGLXGBJSA-N. The full InChI is InChI=1S/C11H18O6/c1-4-11(14)7(6(13)5-12)15-9-8(11)16-10(2,3)17-9/h4,6-9,12-14H,1,5H2,2-3H3/t6-,7-,8+,9-,11-/m1/s1.
What are the key properties of (1R)-1-[(3aR,5R,6R,6aR)-6-ethenyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol?
(1R)-1-[(3aR,5R,6R,6aR)-6-ethenyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol has a molecular weight of 246.26 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3aR,5R,6R,6aR)-6-ethenyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol is sourced from PubChem (CID 23252584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).