(3aR,5R,6R,6aR)-5-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;(2S,3R,4S,5R)-5-ethyl-4-methyloxolane-2,3,4-triol

C17H32O8 — CID 161098410

IUPAC(3aR,5R,6R,6aR)-5-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;(2S,3R,4S,5R)-5-ethyl-4-methyloxolane-2,3,4-triol
SMILESCC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@]1(C)O.CC[C@H]1O[C@H](O)[C@H](O)[C@]1(C)O
InChIInChI=1S/C10H18O4.C7H14O4/c1-5-6-10(4,11)7-8(12-6)14-9(2,3)13-7;1-3-4-7(2,10)5(8)6(9)11-4/h6-8,11H,5H2,1-4H3;4-6,8-10H,3H2,1-2H3/t6-,7+,8-,10-;4-,5+,6+,7-/m11/s1
InChIKeyUICKEJBMHFAHDI-RBFISUCESA-N
MW364.44 g/mol
LogP0.25
Rot. Bonds2

About (3aR,5R,6R,6aR)-5-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;(2S,3R,4S,5R)-5-ethyl-4-methyloxolane-2,3,4-triol

(3aR,5R,6R,6aR)-5-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;(2S,3R,4S,5R)-5-ethyl-4-methyloxolane-2,3,4-triol (PubChem CID 161098410) has the molecular formula C17H32O8 and a molecular weight of 364.44 g/mol. Its IUPAC name is (3aR,5R,6R,6aR)-5-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;(2S,3R,4S,5R)-5-ethyl-4-methyloxolane-2,3,4-triol.

Molecular Properties

Compound Name(3aR,5R,6R,6aR)-5-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;(2S,3R,4S,5R)-5-ethyl-4-methyloxolane-2,3,4-triol
PubChem CID161098410
Molecular FormulaC17H32O8
Molecular Weight364.44 g/mol
Exact Mass364.21
IUPAC Name(3aR,5R,6R,6aR)-5-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;(2S,3R,4S,5R)-5-ethyl-4-methyloxolane-2,3,4-triol
SMILESCC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@]1(C)O.CC[C@H]1O[C@H](O)[C@H](O)[C@]1(C)O
InChIInChI=1S/C10H18O4.C7H14O4/c1-5-6-10(4,11)7-8(12-6)14-9(2,3)13-7;1-3-4-7(2,10)5(8)6(9)11-4/h6-8,11H,5H2,1-4H3;4-6,8-10H,3H2,1-2H3/t6-,7+,8-,10-;4-,5+,6+,7-/m11/s1
InChIKeyUICKEJBMHFAHDI-RBFISUCESA-N
XLogP0.25
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (3aR,5R,6R,6aR)-5-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;(2S,3R,4S,5R)-5-ethyl-4-methyloxolane-2,3,4-triol with MolForge

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Related Compounds

magnesium;(3aR,5R,6aS)-5-ethyl-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one;(3aR,5R,6R,6aR)-5-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;carbanide;bromide
CID 162208591
(3aR,5R,6S,6aR)-5-ethyl-2,2,6-trimethyl-6-prop-1-ynyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
CID 160577301
(3aR,5R,6R)-6-(benzylamino)-5-ethyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 174151379
(1S)-1-[(3aR,5R,6R,6aR)-6-hydroxy-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 156705341
(3aR,5R,6S,6aR)-5,6-bis(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 58503396
magnesium;(3aR,5R,6aS)-5-ethyl-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one;(3aR,5R,6S,6aR)-5-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;(3aR,5R,6R,6aR)-5-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;carbanide;oxolane;bromide
CID 165105361
(3aR,4aR,5R,8aR,8bR)-8a-ethoxy-2,2-dimethyl-8-methylidene-3a,4a,5,8b-tetrahydro-[1,3]dioxolo[4,5-b][1]benzofuran-5-ol
CID 135062731
(1R,9R,10R,14R)-6-ethyl-12,12-dimethyl-11,13,15-trioxatetracyclo[7.6.0.02,7.010,14]pentadecan-9-ol
CID 10869757
(4-nitrophenyl) (3aR,5R,6S,6aR)-5-ethyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6-carboxylate
CID 66742152
(3aR,5R,6R,6aR)-5-ethyl-6-ethynyl-2,2-dimethyl-6-prop-2-ynoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
CID 121443549
(3aR,4aR,5R,8aR,8bR)-8a-methoxy-2,2-dimethyl-8-methylidene-3a,4a,5,8b-tetrahydro-[1,3]dioxolo[4,5-b][1]benzofuran-5-ol
CID 135062532
(5R,6S,6aR)-5-ethyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 20848807

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6R,6aR)-5-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;(2S,3R,4S,5R)-5-ethyl-4-methyloxolane-2,3,4-triol?
The IUPAC name of (3aR,5R,6R,6aR)-5-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;(2S,3R,4S,5R)-5-ethyl-4-methyloxolane-2,3,4-triol (CID 161098410) is (3aR,5R,6R,6aR)-5-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;(2S,3R,4S,5R)-5-ethyl-4-methyloxolane-2,3,4-triol.
What is the SMILES notation for (3aR,5R,6R,6aR)-5-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;(2S,3R,4S,5R)-5-ethyl-4-methyloxolane-2,3,4-triol?
The canonical SMILES for (3aR,5R,6R,6aR)-5-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;(2S,3R,4S,5R)-5-ethyl-4-methyloxolane-2,3,4-triol is CC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@]1(C)O.CC[C@H]1O[C@H](O)[C@H](O)[C@]1(C)O.
What is the InChIKey of (3aR,5R,6R,6aR)-5-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;(2S,3R,4S,5R)-5-ethyl-4-methyloxolane-2,3,4-triol?
The InChIKey is UICKEJBMHFAHDI-RBFISUCESA-N. The full InChI is InChI=1S/C10H18O4.C7H14O4/c1-5-6-10(4,11)7-8(12-6)14-9(2,3)13-7;1-3-4-7(2,10)5(8)6(9)11-4/h6-8,11H,5H2,1-4H3;4-6,8-10H,3H2,1-2H3/t6-,7+,8-,10-;4-,5+,6+,7-/m11/s1.
What are the key properties of (3aR,5R,6R,6aR)-5-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;(2S,3R,4S,5R)-5-ethyl-4-methyloxolane-2,3,4-triol?
(3aR,5R,6R,6aR)-5-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;(2S,3R,4S,5R)-5-ethyl-4-methyloxolane-2,3,4-triol has a molecular weight of 364.44 g/mol, XLogP of 0.25, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6R,6aR)-5-ethyl-2,2,6-trimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol;(2S,3R,4S,5R)-5-ethyl-4-methyloxolane-2,3,4-triol is sourced from PubChem (CID 161098410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).