(6S)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;(4S)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

C25H40O11 — CID 157489176

IUPAC(6S)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;(4S)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESCC1(C)OCC([C@@H]2OC(=O)C3OC(C)(C)OC32)O1.CC1O[C@@H](C2COC(C)(C)O2)C2OC(C)(C)OC12
InChIInChI=1S/C13H22O5.C12H18O6/c1-7-9-11(18-13(4,5)17-9)10(15-7)8-6-14-12(2,3)16-8;1-11(2)14-5-6(16-11)7-8-9(10(13)15-7)18-12(3,4)17-8/h7-11H,6H2,1-5H3;6-9H,5H2,1-4H3/t7?,8?,9?,10-,11?;6?,7-,8?,9?/m00/s1
InChIKeyBXBJMKAGFFKWDY-QBHADLQQSA-N
MW516.58 g/mol
LogP2.03
Rot. Bonds2

About (6S)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;(4S)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

(6S)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;(4S)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (PubChem CID 157489176) has the molecular formula C25H40O11 and a molecular weight of 516.58 g/mol. Its IUPAC name is (6S)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;(4S)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.

Molecular Properties

Compound Name(6S)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;(4S)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
PubChem CID157489176
Molecular FormulaC25H40O11
Molecular Weight516.58 g/mol
Exact Mass516.26
IUPAC Name(6S)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;(4S)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESCC1(C)OCC([C@@H]2OC(=O)C3OC(C)(C)OC32)O1.CC1O[C@@H](C2COC(C)(C)O2)C2OC(C)(C)OC12
InChIInChI=1S/C13H22O5.C12H18O6/c1-7-9-11(18-13(4,5)17-9)10(15-7)8-6-14-12(2,3)16-8;1-11(2)14-5-6(16-11)7-8-9(10(13)15-7)18-12(3,4)17-8/h7-11H,6H2,1-5H3;6-9H,5H2,1-4H3/t7?,8?,9?,10-,11?;6?,7-,8?,9?/m00/s1
InChIKeyBXBJMKAGFFKWDY-QBHADLQQSA-N
XLogP2.03
TPSA109.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.58
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze (6S)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;(4S)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole with MolForge

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Related Compounds

ethyl-5,7,8-tri-O-acetyl-2-deoxy-alpha-D-erythro-L-arabino-oct-3-ulofuranosid-1,4-lactone
CID 139056507
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CID 139070258
(3aR,5S,5'S,6aR)-5'-methylspiro[3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-2-one
CID 139091092
(3aR,6R,6aR)-6-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 10959279
copper bis((1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate)
CID 18594021
copper;bis((1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate);hydrate
CID 18594022
(2',10-Dioxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-oxolane]-9-yl) 2,2-dimethylbutanoate
CID 58445669
(3aR,6S,6aR)-6-[(2,2-diethyl-1,3-dioxolan-4-yl)methyl]-2,2-diethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 58940210
(4,4-Dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2-methyl-2-[(2-oxooxolan-3-yl)oxymethyl]butanoate
CID 59711504
(1R,2S,6S,8R,9S)-9-ethoxy-4,4-diethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
CID 68196199
(3aR,6R,6aR)-6-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 68915126
(3aR,6S,6aR)-6-(2,2-diethyl-1,3-dioxolan-4-yl)-2,2-diethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 71171640

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;(4S)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The IUPAC name of (6S)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;(4S)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (CID 157489176) is (6S)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;(4S)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.
What is the SMILES notation for (6S)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;(4S)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The canonical SMILES for (6S)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;(4S)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is CC1(C)OCC([C@@H]2OC(=O)C3OC(C)(C)OC32)O1.CC1O[C@@H](C2COC(C)(C)O2)C2OC(C)(C)OC12.
What is the InChIKey of (6S)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;(4S)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The InChIKey is BXBJMKAGFFKWDY-QBHADLQQSA-N. The full InChI is InChI=1S/C13H22O5.C12H18O6/c1-7-9-11(18-13(4,5)17-9)10(15-7)8-6-14-12(2,3)16-8;1-11(2)14-5-6(16-11)7-8-9(10(13)15-7)18-12(3,4)17-8/h7-11H,6H2,1-5H3;6-9H,5H2,1-4H3/t7?,8?,9?,10-,11?;6?,7-,8?,9?/m00/s1.
What are the key properties of (6S)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;(4S)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
(6S)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;(4S)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole has a molecular weight of 516.58 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one;(4S)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is sourced from PubChem (CID 157489176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).