(3aR,5R,6aR)-5-(furan-3-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

C11H14O4 — CID 14261516

IUPAC(3aR,5R,6aR)-5-(furan-3-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCC1(C)O[C@H]2O[C@@H](c3ccoc3)C[C@H]2O1
InChIInChI=1S/C11H14O4/c1-11(2)14-9-5-8(13-10(9)15-11)7-3-4-12-6-7/h3-4,6,8-10H,5H2,1-2H3/t8-,9-,10-/m1/s1
InChIKeyDDMOQTHLKVUABP-OPRDCNLKSA-N
MW210.23 g/mol
LogP2.22
Rot. Bonds1

About (3aR,5R,6aR)-5-(furan-3-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

(3aR,5R,6aR)-5-(furan-3-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 14261516) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (3aR,5R,6aR)-5-(furan-3-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,5R,6aR)-5-(furan-3-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID14261516
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(3aR,5R,6aR)-5-(furan-3-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCC1(C)O[C@H]2O[C@@H](c3ccoc3)C[C@H]2O1
InChIInChI=1S/C11H14O4/c1-11(2)14-9-5-8(13-10(9)15-11)7-3-4-12-6-7/h3-4,6,8-10H,5H2,1-2H3/t8-,9-,10-/m1/s1
InChIKeyDDMOQTHLKVUABP-OPRDCNLKSA-N
XLogP2.22
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3aR,5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide
CID 130765029
(4R)-4-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-dioxolane-2-thione
CID 100965985
2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyacetic acid
CID 71154280
(3aR,5S,6aR)-2,2-dimethyl-5-[(E)-prop-1-enyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 11557396
(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]butan-1-ol
CID 118198785
(3S,4aS,8aS)-3-(furan-3-yl)-5,5-dimethyl-4,4a,6,7,8,8a-hexahydro-3H-isochromen-1-one
CID 14705522
trans-(1S,2R)-3-(furan-3-yl)-2-(2-hydroxyethyl)-2-methylcyclopentan-1-ol
CID 102157021
2-[(3aR,5R,6aS)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxy-1-(2-methylphenyl)ethanone
CID 154725744
(1S,3R,5S,6R,8R,11S,12S,13S)-3-(furan-3-yl)-5-methyl-2,9,14-trioxapentacyclo[11.2.1.18,11.01,5.06,12]heptadecane-10,15-dione
CID 101297631
1-[(3aR,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 163503532
1-[(2R,5R)-5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one
CID 11054069
(6aS,7R,9S,10bR)-2-(furan-3-yl)-6a,7,9,10b-tetramethyl-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-4,10-dione
CID 143111724

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6aR)-5-(furan-3-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (3aR,5R,6aR)-5-(furan-3-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 14261516) is (3aR,5R,6aR)-5-(furan-3-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aR,5R,6aR)-5-(furan-3-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (3aR,5R,6aR)-5-(furan-3-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is CC1(C)O[C@H]2O[C@@H](c3ccoc3)C[C@H]2O1.
What is the InChIKey of (3aR,5R,6aR)-5-(furan-3-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is DDMOQTHLKVUABP-OPRDCNLKSA-N. The full InChI is InChI=1S/C11H14O4/c1-11(2)14-9-5-8(13-10(9)15-11)7-3-4-12-6-7/h3-4,6,8-10H,5H2,1-2H3/t8-,9-,10-/m1/s1.
What are the key properties of (3aR,5R,6aR)-5-(furan-3-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
(3aR,5R,6aR)-5-(furan-3-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 210.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6aR)-5-(furan-3-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 14261516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).