[(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol

C8H12O4 — CID 14756838

IUPAC[(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
SMILESCC1(C)O[C@H]2OC(CO)=C[C@H]2O1
InChIInChI=1S/C8H12O4/c1-8(2)11-6-3-5(4-9)10-7(6)12-8/h3,6-7,9H,4H2,1-2H3/t6-,7-/m1/s1
InChIKeyNXTQVJOWUQNCDK-RNFRBKRXSA-N
MW172.18 g/mol
LogP0.37
Rot. Bonds1

About [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol

[(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol (PubChem CID 14756838) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol.

Molecular Properties

Compound Name[(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
PubChem CID14756838
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name[(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
SMILESCC1(C)O[C@H]2OC(CO)=C[C@H]2O1
InChIInChI=1S/C8H12O4/c1-8(2)11-6-3-5(4-9)10-7(6)12-8/h3,6-7,9H,4H2,1-2H3/t6-,7-/m1/s1
InChIKeyNXTQVJOWUQNCDK-RNFRBKRXSA-N
XLogP0.37
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol with MolForge

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Related Compounds

Ethyl-4,6a-dihydro-3ah-cyclopenta[1,3]dioxol-4-ol
CID 129888001
2-(2,2-Dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol
CID 14804892
(1R,2R,5R)-4-methoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-2-ol
CID 131037879
(2,2-Dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methanol
CID 14756837
5-Methyl-2,5-dihydrofuran-2,3-diol
CID 18475105
2-[[2-(1,3-dioxolan-2-yl)-2H-pyran-6-yl]oxy]ethanol
CID 54007719
(3aS)-5-ethyl-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
CID 58834044
(3aR,6aR)-5-ethyl-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
CID 68059315
[(7aR)-2,2-dimethyl-7,7a-dihydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methanol
CID 68361571
(2-Methyl-1,3-dioxolan-4-yl)methanol;pent-3-ene-1,2,3-triol
CID 68493054
[(3aR,6aR)-2-ethenyl-2-methyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
CID 70254166
1-(2,2-Dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol
CID 70904493

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol?
The IUPAC name of [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol (CID 14756838) is [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol.
What is the SMILES notation for [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol?
The canonical SMILES for [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol is CC1(C)O[C@H]2OC(CO)=C[C@H]2O1.
What is the InChIKey of [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol?
The InChIKey is NXTQVJOWUQNCDK-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H12O4/c1-8(2)11-6-3-5(4-9)10-7(6)12-8/h3,6-7,9H,4H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol?
[(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol has a molecular weight of 172.18 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol is sourced from PubChem (CID 14756838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).