[(3aS,5R)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol

C11H20O4 — CID 59968638

IUPAC[(3aS,5R)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
SMILESCC[C@@]1(CO)O[C@H]2OC(C)(C)OC2C1C
InChIInChI=1S/C11H20O4/c1-5-11(6-12)7(2)8-9(15-11)14-10(3,4)13-8/h7-9,12H,5-6H2,1-4H3/t7?,8?,9-,11+/m1/s1
InChIKeyVCAKLUKPXIPWCV-CKQMPDBCSA-N
MW216.28 g/mol
LogP1.27
Rot. Bonds2

About [(3aS,5R)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol

[(3aS,5R)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol (PubChem CID 59968638) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is [(3aS,5R)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol.

Molecular Properties

Compound Name[(3aS,5R)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
PubChem CID59968638
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name[(3aS,5R)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
SMILESCC[C@@]1(CO)O[C@H]2OC(C)(C)OC2C1C
InChIInChI=1S/C11H20O4/c1-5-11(6-12)7(2)8-9(15-11)14-10(3,4)13-8/h7-9,12H,5-6H2,1-4H3/t7?,8?,9-,11+/m1/s1
InChIKeyVCAKLUKPXIPWCV-CKQMPDBCSA-N
XLogP1.27
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3aS,5R)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol with MolForge

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Related Compounds

(3aR,6S,6aR)-5,5-diethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole;[(3aR,6S,6aR)-5-(hydroxymethyl)-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 162245066
[(3aS,5R)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;(5R)-5-ethyl-3-methoxy-4-methyl-5-prop-1-ynyloxolane-2-carbaldehyde
CID 159968324
[(3aR,5R,6aS)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 158868399
[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 59638497
[(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-propanoyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate
CID 102325485
[(3aR,5R,6R,6aR)-6-butoxy-5-(butoxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 102325486
[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
CID 11805484
[5-(hydroxymethyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 22177544
[(3aS,6aS)-5-(hydroxymethyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 140862742
1-[(3aR,5S,6R,6aR)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-3-trimethylsilylprop-2-yn-1-ol
CID 59638503
[(3aR,5R,6S,6aR)-2,2-dimethyl-6-[methyl(phosphoroso)boranyl]-5-[[methyl(phosphoroso)boranyl]methyl]-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 167567384
[(3aR,5R,6R)-2,2-dimethyl-6-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 70895394

Frequently Asked Questions

What is the IUPAC name of [(3aS,5R)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol?
The IUPAC name of [(3aS,5R)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol (CID 59968638) is [(3aS,5R)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol.
What is the SMILES notation for [(3aS,5R)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol?
The canonical SMILES for [(3aS,5R)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol is CC[C@@]1(CO)O[C@H]2OC(C)(C)OC2C1C.
What is the InChIKey of [(3aS,5R)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol?
The InChIKey is VCAKLUKPXIPWCV-CKQMPDBCSA-N. The full InChI is InChI=1S/C11H20O4/c1-5-11(6-12)7(2)8-9(15-11)14-10(3,4)13-8/h7-9,12H,5-6H2,1-4H3/t7?,8?,9-,11+/m1/s1.
What are the key properties of [(3aS,5R)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol?
[(3aS,5R)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol has a molecular weight of 216.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,5R)-5-ethyl-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol is sourced from PubChem (CID 59968638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).