2-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethanol

C14H24O6 — CID 14609414

IUPAC2-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethanol
SMILESCC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@@H](CCO)[C@H]2O1
InChIInChI=1S/C14H24O6/c1-13(2)16-7-9(18-13)10-8(5-6-15)11-12(17-10)20-14(3,4)19-11/h8-12,15H,5-7H2,1-4H3/t8-,9-,10+,11-,12-/m1/s1
InChIKeyPDCHSCKYQZTHOQ-RMPHRYRLSA-N
MW288.34 g/mol
LogP1.01
Rot. Bonds3

About 2-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethanol

2-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethanol (PubChem CID 14609414) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethanol.

Molecular Properties

Compound Name2-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethanol
PubChem CID14609414
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name2-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethanol
SMILESCC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@@H](CCO)[C@H]2O1
InChIInChI=1S/C14H24O6/c1-13(2)16-7-9(18-13)10-8(5-6-15)11-12(17-10)20-14(3,4)19-11/h8-12,15H,5-7H2,1-4H3/t8-,9-,10+,11-,12-/m1/s1
InChIKeyPDCHSCKYQZTHOQ-RMPHRYRLSA-N
XLogP1.01
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethanol with MolForge

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Related Compounds

alpha-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-
CID 2723618
Diacetone-D-glucose
CID 7067560
1-(6-Hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol
CID 219905
1,2-O-Isopropylidene-alpha-D-glucofuranose
CID 87704
1,2,5,6-Di-O-isopropylidene-alpha-D-allofuranose
CID 2724706
Diacetone glucose
CID 219661
Communiol D
CID 11298887
1,2:5,6-Bis-O-(1-methylethylidene)-alpha-D-allofuranose
CID 7157054
1-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 2723655
alpha-D-Gulofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-
CID 11425442
2,3:5,6-Di-O-isopropylidene-alpha-D-mannofuranose
CID 7157188
1,2:5,6-di-O-Isopropylidene-alpha-D-ribo-3-hexofuranosulose
CID 538763

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethanol?
The IUPAC name of 2-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethanol (CID 14609414) is 2-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethanol.
What is the SMILES notation for 2-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethanol?
The canonical SMILES for 2-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethanol is CC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@@H](CCO)[C@H]2O1.
What is the InChIKey of 2-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethanol?
The InChIKey is PDCHSCKYQZTHOQ-RMPHRYRLSA-N. The full InChI is InChI=1S/C14H24O6/c1-13(2)16-7-9(18-13)10-8(5-6-15)11-12(17-10)20-14(3,4)19-11/h8-12,15H,5-7H2,1-4H3/t8-,9-,10+,11-,12-/m1/s1.
What are the key properties of 2-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethanol?
2-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethanol has a molecular weight of 288.34 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ethanol is sourced from PubChem (CID 14609414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).