[(1R)-8-(hydroxymethyl)-4,6-dimethyl-2,5,7,9-tetraoxabicyclo[4.2.1]nonan-3-yl]methanol

C9H16O6 — CID 70827100

IUPAC[(1R)-8-(hydroxymethyl)-4,6-dimethyl-2,5,7,9-tetraoxabicyclo[4.2.1]nonan-3-yl]methanol
SMILESCC1OC2(C)OC(CO)[C@H](OC1CO)O2
InChIInChI=1S/C9H16O6/c1-5-6(3-10)12-8-7(4-11)14-9(2,13-5)15-8/h5-8,10-11H,3-4H2,1-2H3/t5?,6?,7?,8-,9?/m1/s1
InChIKeyVVNWJPFMHWEJIR-FGNSBMJPSA-N
MW220.22 g/mol
LogP-0.81
Rot. Bonds2

About [(1R)-8-(hydroxymethyl)-4,6-dimethyl-2,5,7,9-tetraoxabicyclo[4.2.1]nonan-3-yl]methanol

[(1R)-8-(hydroxymethyl)-4,6-dimethyl-2,5,7,9-tetraoxabicyclo[4.2.1]nonan-3-yl]methanol (PubChem CID 70827100) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is [(1R)-8-(hydroxymethyl)-4,6-dimethyl-2,5,7,9-tetraoxabicyclo[4.2.1]nonan-3-yl]methanol.

Molecular Properties

Compound Name[(1R)-8-(hydroxymethyl)-4,6-dimethyl-2,5,7,9-tetraoxabicyclo[4.2.1]nonan-3-yl]methanol
PubChem CID70827100
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Name[(1R)-8-(hydroxymethyl)-4,6-dimethyl-2,5,7,9-tetraoxabicyclo[4.2.1]nonan-3-yl]methanol
SMILESCC1OC2(C)OC(CO)[C@H](OC1CO)O2
InChIInChI=1S/C9H16O6/c1-5-6(3-10)12-8-7(4-11)14-9(2,13-5)15-8/h5-8,10-11H,3-4H2,1-2H3/t5?,6?,7?,8-,9?/m1/s1
InChIKeyVVNWJPFMHWEJIR-FGNSBMJPSA-N
XLogP-0.81
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1R)-8-(hydroxymethyl)-4,6-dimethyl-2,5,7,9-tetraoxabicyclo[4.2.1]nonan-3-yl]methanol with MolForge

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Related Compounds

[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
CID 11805484
[(3aR,5R,6R,6aS)-6-iodo-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
CID 10266785
[(1R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 67476439
[(1S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 54200046
[(2S,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 58013640
[(1R,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 70451170
[(1R,2S,6R,8S,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 97399157
[(1R,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 7057909
[(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 70795288
[(1S,6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 70793572
[(1S,2R,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 7057262
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244

Frequently Asked Questions

What is the IUPAC name of [(1R)-8-(hydroxymethyl)-4,6-dimethyl-2,5,7,9-tetraoxabicyclo[4.2.1]nonan-3-yl]methanol?
The IUPAC name of [(1R)-8-(hydroxymethyl)-4,6-dimethyl-2,5,7,9-tetraoxabicyclo[4.2.1]nonan-3-yl]methanol (CID 70827100) is [(1R)-8-(hydroxymethyl)-4,6-dimethyl-2,5,7,9-tetraoxabicyclo[4.2.1]nonan-3-yl]methanol.
What is the SMILES notation for [(1R)-8-(hydroxymethyl)-4,6-dimethyl-2,5,7,9-tetraoxabicyclo[4.2.1]nonan-3-yl]methanol?
The canonical SMILES for [(1R)-8-(hydroxymethyl)-4,6-dimethyl-2,5,7,9-tetraoxabicyclo[4.2.1]nonan-3-yl]methanol is CC1OC2(C)OC(CO)[C@H](OC1CO)O2.
What is the InChIKey of [(1R)-8-(hydroxymethyl)-4,6-dimethyl-2,5,7,9-tetraoxabicyclo[4.2.1]nonan-3-yl]methanol?
The InChIKey is VVNWJPFMHWEJIR-FGNSBMJPSA-N. The full InChI is InChI=1S/C9H16O6/c1-5-6(3-10)12-8-7(4-11)14-9(2,13-5)15-8/h5-8,10-11H,3-4H2,1-2H3/t5?,6?,7?,8-,9?/m1/s1.
What are the key properties of [(1R)-8-(hydroxymethyl)-4,6-dimethyl-2,5,7,9-tetraoxabicyclo[4.2.1]nonan-3-yl]methanol?
[(1R)-8-(hydroxymethyl)-4,6-dimethyl-2,5,7,9-tetraoxabicyclo[4.2.1]nonan-3-yl]methanol has a molecular weight of 220.22 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-8-(hydroxymethyl)-4,6-dimethyl-2,5,7,9-tetraoxabicyclo[4.2.1]nonan-3-yl]methanol is sourced from PubChem (CID 70827100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).