2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol

C11H20O4 — CID 148584405

IUPAC2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
SMILESCC1C[C@H](OCCO)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C11H20O4/c1-7-6-8(13-5-4-12)10-9(7)14-11(2,3)15-10/h7-10,12H,4-6H2,1-3H3/t7?,8-,9-,10+/m0/s1
InChIKeyMZJYYTUIECZQPM-JVSARINNSA-N
MW216.28 g/mol
LogP0.92
Rot. Bonds3

About 2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol

2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol (PubChem CID 148584405) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
PubChem CID148584405
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
SMILESCC1C[C@H](OCCO)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C11H20O4/c1-7-6-8(13-5-4-12)10-9(7)14-11(2,3)15-10/h7-10,12H,4-6H2,1-3H3/t7?,8-,9-,10+/m0/s1
InChIKeyMZJYYTUIECZQPM-JVSARINNSA-N
XLogP0.92
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol with MolForge

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Related Compounds

2-[[(3aR,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
CID 134714753
2-[[(3aS,4R,6S,6aR)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
CID 78358204
CID 123923765
CID 123923765
2-(2-methylcyclopropyl)oxyethanol
CID 130122746
2-[[(1R,2S,6S,7S,9R)-4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl]oxy]ethanol
CID 101335184
2-[[(3aR,4S,6R,6aS)-6-[[6-[[(3aR,4S,6R,6aS)-4-(2-hydroxyethoxy)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]amino]-5-amino-2-propylsulfanylpyrimidin-4-yl]amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
CID 146014516
[(3aS,4R,5S,7R,7aR)-4-hydroxy-2,2,7-trimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl] acetate
CID 169294456
(3aR,4S,6R,6aS)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-amine;oxalic acid
CID 71609772
(3aR,4S,6R,6aS)-2,2-dimethyl-4-(2-nitrosoethoxy)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-amine
CID 126725455
3-[(6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy]propanenitrile
CID 123566665
2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71346024
2-[[(3aR,4S,6R,6aS)-6-[(5-amino-6-bromo-2-propylsulfanylpyrimidin-4-yl)amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
CID 90466255

Frequently Asked Questions

What is the IUPAC name of 2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol?
The IUPAC name of 2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol (CID 148584405) is 2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol.
What is the SMILES notation for 2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol?
The canonical SMILES for 2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol is CC1C[C@H](OCCO)[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of 2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol?
The InChIKey is MZJYYTUIECZQPM-JVSARINNSA-N. The full InChI is InChI=1S/C11H20O4/c1-7-6-8(13-5-4-12)10-9(7)14-11(2,3)15-10/h7-10,12H,4-6H2,1-3H3/t7?,8-,9-,10+/m0/s1.
What are the key properties of 2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol?
2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol has a molecular weight of 216.28 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3aR,4S,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol is sourced from PubChem (CID 148584405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).