(2R,4aR,7S,7aR)-2-methyl-2-(2-methylpropyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol

C11H20O4 — CID 67888562

IUPAC(2R,4aR,7S,7aR)-2-methyl-2-(2-methylpropyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
SMILESCC(C)C[C@]1(C)OC[C@H]2OC[C@H](O)[C@H]2O1
InChIInChI=1S/C11H20O4/c1-7(2)4-11(3)14-6-9-10(15-11)8(12)5-13-9/h7-10,12H,4-6H2,1-3H3/t8-,9+,10+,11+/m0/s1
InChIKeyYHFZDCNHYZHADQ-LNFKQOIKSA-N
MW216.28 g/mol
LogP0.92
Rot. Bonds2

About (2R,4aR,7S,7aR)-2-methyl-2-(2-methylpropyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol

(2R,4aR,7S,7aR)-2-methyl-2-(2-methylpropyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol (PubChem CID 67888562) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R,4aR,7S,7aR)-2-methyl-2-(2-methylpropyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol.

Molecular Properties

Compound Name(2R,4aR,7S,7aR)-2-methyl-2-(2-methylpropyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
PubChem CID67888562
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(2R,4aR,7S,7aR)-2-methyl-2-(2-methylpropyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
SMILESCC(C)C[C@]1(C)OC[C@H]2OC[C@H](O)[C@H]2O1
InChIInChI=1S/C11H20O4/c1-7(2)4-11(3)14-6-9-10(15-11)8(12)5-13-9/h7-10,12H,4-6H2,1-3H3/t8-,9+,10+,11+/m0/s1
InChIKeyYHFZDCNHYZHADQ-LNFKQOIKSA-N
XLogP0.92
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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 (2R,4aR,7S,7aR)-2-methyl-2-(2-methylpropyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4aR,7S,7aR)-2-methyl-2-(2-methylpropyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol?
The IUPAC name of (2R,4aR,7S,7aR)-2-methyl-2-(2-methylpropyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol (CID 67888562) is (2R,4aR,7S,7aR)-2-methyl-2-(2-methylpropyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol.
What is the SMILES notation for (2R,4aR,7S,7aR)-2-methyl-2-(2-methylpropyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol?
The canonical SMILES for (2R,4aR,7S,7aR)-2-methyl-2-(2-methylpropyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol is CC(C)C[C@]1(C)OC[C@H]2OC[C@H](O)[C@H]2O1.
What is the InChIKey of (2R,4aR,7S,7aR)-2-methyl-2-(2-methylpropyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol?
The InChIKey is YHFZDCNHYZHADQ-LNFKQOIKSA-N. The full InChI is InChI=1S/C11H20O4/c1-7(2)4-11(3)14-6-9-10(15-11)8(12)5-13-9/h7-10,12H,4-6H2,1-3H3/t8-,9+,10+,11+/m0/s1.
What are the key properties of (2R,4aR,7S,7aR)-2-methyl-2-(2-methylpropyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol?
(2R,4aR,7S,7aR)-2-methyl-2-(2-methylpropyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol has a molecular weight of 216.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,7S,7aR)-2-methyl-2-(2-methylpropyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol is sourced from PubChem (CID 67888562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).