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

C10H18O5 — CID 71229435

IUPAC[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
SMILESCOC1O[C@H](CO)[C@H]2OC(C)(C)O[C@@]12C
InChIInChI=1S/C10H18O5/c1-9(2)14-7-6(5-11)13-8(12-4)10(7,3)15-9/h6-8,11H,5H2,1-4H3/t6-,7-,8?,10-/m1/s1
InChIKeyYPRPSPOCGMTAJS-VZTUGXDPSA-N
MW218.25 g/mol
LogP0.26
Rot. Bonds2

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

[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol (PubChem CID 71229435) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is [(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol.

Molecular Properties

Compound Name[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
PubChem CID71229435
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
SMILESCOC1O[C@H](CO)[C@H]2OC(C)(C)O[C@@]12C
InChIInChI=1S/C10H18O5/c1-9(2)14-7-6(5-11)13-8(12-4)10(7,3)15-9/h6-8,11H,5H2,1-4H3/t6-,7-,8?,10-/m1/s1
InChIKeyYPRPSPOCGMTAJS-VZTUGXDPSA-N
XLogP0.26
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[(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
(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
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
(4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol
CID 68979706
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-3,4-dimethyloxane-3,4,5-triol
CID 22887228
[(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
CID 143157562
[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 13091751
[(4R)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 123304821
[(3aS,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 12696595
[(3aR,4R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 129137009
(3aS,5S,6aR)-3a,5-bis(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-ol
CID 45039611
[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;thiohydroxylamine
CID 144515048

Frequently Asked Questions

What is the IUPAC name of [(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol?
The IUPAC name of [(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) is [(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol.
What is the SMILES notation for [(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol?
The canonical SMILES for [(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol is COC1O[C@H](CO)[C@H]2OC(C)(C)O[C@@]12C.
What is the InChIKey of [(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol?
The InChIKey is YPRPSPOCGMTAJS-VZTUGXDPSA-N. The full InChI is InChI=1S/C10H18O5/c1-9(2)14-7-6(5-11)13-8(12-4)10(7,3)15-9/h6-8,11H,5H2,1-4H3/t6-,7-,8?,10-/m1/s1.
What are the key properties of [(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol?
[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol has a molecular weight of 218.25 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol is sourced from PubChem (CID 71229435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).