(1S)-1-[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol

C11H20O5 — CID 71229428

IUPAC(1S)-1-[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol
SMILESCOC1O[C@H]([C@H](C)O)[C@H]2OC(C)(C)O[C@@]12C
InChIInChI=1S/C11H20O5/c1-6(12)7-8-11(4,9(13-5)14-7)16-10(2,3)15-8/h6-9,12H,1-5H3/t6-,7+,8+,9?,11+/m0/s1
InChIKeyTYAKRYCYIKFEKZ-OBQLMSFRSA-N
MW232.28 g/mol
LogP0.65
Rot. Bonds2

About (1S)-1-[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol

(1S)-1-[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol (PubChem CID 71229428) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is (1S)-1-[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol
PubChem CID71229428
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name(1S)-1-[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol
SMILESCOC1O[C@H]([C@H](C)O)[C@H]2OC(C)(C)O[C@@]12C
InChIInChI=1S/C11H20O5/c1-6(12)7-8-11(4,9(13-5)14-7)16-10(2,3)15-8/h6-9,12H,1-5H3/t6-,7+,8+,9?,11+/m0/s1
InChIKeyTYAKRYCYIKFEKZ-OBQLMSFRSA-N
XLogP0.65
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol with MolForge

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Related Compounds

[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
CID 71229435
1-[(3S,5R)-8,8-dimethyl-4,7,9-trioxatricyclo[4.3.0.01,3]nonan-5-yl]ethanol
CID 129014651
2-(1-hydroxyethyl)-7-methoxy-6-methyloxepane-3,4,6-triol
CID 123838788
[(3aS,6R,6aS)-2,2,3a-trimethyl-4-prop-2-enoxy-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
CID 134938280
5-methoxy-N,2,2,4-tetramethyl-1,3-dioxolane-4-carboxamide
CID 91551639
CID 89471189
CID 89471189
(3aR,4S,6S,6aR)-6-[(1S)-1-hydroxyethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 102062375
(1R)-1-[(3aS,6R,6aS)-4-hydroxy-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol
CID 10922935
(4R,5R)-5-[(1S)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 119087566
1-(3,3-dimethyloxiran-2-yl)ethanol
CID 10920486
(1R)-1-[(2R,3R,5R)-3-amino-5-methoxyoxolan-2-yl]ethanol
CID 131124380
1-[5-(1-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethanol
CID 18740051

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol?
The IUPAC name of (1S)-1-[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol (CID 71229428) is (1S)-1-[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol.
What is the SMILES notation for (1S)-1-[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol?
The canonical SMILES for (1S)-1-[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol is COC1O[C@H]([C@H](C)O)[C@H]2OC(C)(C)O[C@@]12C.
What is the InChIKey of (1S)-1-[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol?
The InChIKey is TYAKRYCYIKFEKZ-OBQLMSFRSA-N. The full InChI is InChI=1S/C11H20O5/c1-6(12)7-8-11(4,9(13-5)14-7)16-10(2,3)15-8/h6-9,12H,1-5H3/t6-,7+,8+,9?,11+/m0/s1.
What are the key properties of (1S)-1-[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol?
(1S)-1-[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol has a molecular weight of 232.28 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]ethanol is sourced from PubChem (CID 71229428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).