(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole

C7H10O3 — CID 14413178

IUPAC(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
SMILESCC1(C)O[C@H]2OC=C[C@H]2O1
InChIInChI=1S/C7H10O3/c1-7(2)9-5-3-4-8-6(5)10-7/h3-6H,1-2H3/t5-,6-/m1/s1
InChIKeyXJNNXOWLIANXFO-PHDIDXHHSA-N
MW142.15 g/mol
LogP1.01
Rot. Bonds

About (3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole

(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole (PubChem CID 14413178) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
PubChem CID14413178
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
SMILESCC1(C)O[C@H]2OC=C[C@H]2O1
InChIInChI=1S/C7H10O3/c1-7(2)9-5-3-4-8-6(5)10-7/h3-6H,1-2H3/t5-,6-/m1/s1
InChIKeyXJNNXOWLIANXFO-PHDIDXHHSA-N
XLogP1.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole (CID 14413178) is (3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole is CC1(C)O[C@H]2OC=C[C@H]2O1.
What is the InChIKey of (3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
The InChIKey is XJNNXOWLIANXFO-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H10O3/c1-7(2)9-5-3-4-8-6(5)10-7/h3-6H,1-2H3/t5-,6-/m1/s1.
What are the key properties of (3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole?
(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole has a molecular weight of 142.15 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 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]dioxole is sourced from PubChem (CID 14413178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).