(2R)-1-[(3aR,5R,6R,6aR)-5-(3-hydroxypropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]propan-2-ol

C13H24O5 — CID 10038235

IUPAC(2R)-1-[(3aR,5R,6R,6aR)-5-(3-hydroxypropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]propan-2-ol
SMILESC[C@@H](O)C[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CCCO
InChIInChI=1S/C13H24O5/c1-8(15)7-9-10(5-4-6-14)16-12-11(9)17-13(2,3)18-12/h8-12,14-15H,4-7H2,1-3H3/t8-,9-,10-,11-,12-/m1/s1
InChIKeyFNUHUHQIHYBFFL-LZQZFOIKSA-N
MW260.33 g/mol
LogP1.02
Rot. Bonds5

About (2R)-1-[(3aR,5R,6R,6aR)-5-(3-hydroxypropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]propan-2-ol

(2R)-1-[(3aR,5R,6R,6aR)-5-(3-hydroxypropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]propan-2-ol (PubChem CID 10038235) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is (2R)-1-[(3aR,5R,6R,6aR)-5-(3-hydroxypropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3aR,5R,6R,6aR)-5-(3-hydroxypropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]propan-2-ol
PubChem CID10038235
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name(2R)-1-[(3aR,5R,6R,6aR)-5-(3-hydroxypropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]propan-2-ol
SMILESC[C@@H](O)C[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CCCO
InChIInChI=1S/C13H24O5/c1-8(15)7-9-10(5-4-6-14)16-12-11(9)17-13(2,3)18-12/h8-12,14-15H,4-7H2,1-3H3/t8-,9-,10-,11-,12-/m1/s1
InChIKeyFNUHUHQIHYBFFL-LZQZFOIKSA-N
XLogP1.02
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(3aR,5R,6R,6aR)-5-(3-hydroxypropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]propan-2-ol with MolForge

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Related Compounds

(1R)-1-[(3aR,5S,6R,6aR)-6-(2-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 11139473
6-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]hexane-1,4-diol
CID 14540683
1-[(3aR,5S,6R,6aR)-2,2-dimethyl-6-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 58288064
(3aR,5R)-5-(2-hydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 159327740
2-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-(phenylmethoxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol
CID 101076928
methyl 2-[(3aR,5R,6R,6aR)-2,2-dimethyl-5-pentyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
CID 16664772
(1R)-1-[(3aR,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 6541035
1-[(3aR,5R,6R)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 51340641
[(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
[(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
[(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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3aR,5R,6R,6aR)-5-(3-hydroxypropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(3aR,5R,6R,6aR)-5-(3-hydroxypropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]propan-2-ol (CID 10038235) is (2R)-1-[(3aR,5R,6R,6aR)-5-(3-hydroxypropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(3aR,5R,6R,6aR)-5-(3-hydroxypropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(3aR,5R,6R,6aR)-5-(3-hydroxypropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]propan-2-ol is C[C@@H](O)C[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CCCO.
What is the InChIKey of (2R)-1-[(3aR,5R,6R,6aR)-5-(3-hydroxypropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]propan-2-ol?
The InChIKey is FNUHUHQIHYBFFL-LZQZFOIKSA-N. The full InChI is InChI=1S/C13H24O5/c1-8(15)7-9-10(5-4-6-14)16-12-11(9)17-13(2,3)18-12/h8-12,14-15H,4-7H2,1-3H3/t8-,9-,10-,11-,12-/m1/s1.
What are the key properties of (2R)-1-[(3aR,5R,6R,6aR)-5-(3-hydroxypropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]propan-2-ol?
(2R)-1-[(3aR,5R,6R,6aR)-5-(3-hydroxypropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]propan-2-ol has a molecular weight of 260.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3aR,5R,6R,6aR)-5-(3-hydroxypropyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]propan-2-ol is sourced from PubChem (CID 10038235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).