5-[(5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-hydroxypentan-2-one

C12H20O5 — CID 58058293

IUPAC5-[(5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-hydroxypentan-2-one
SMILESCC1(C)OC2O[C@H](CCCC(=O)CO)C[C@H]2O1
InChIInChI=1S/C12H20O5/c1-12(2)16-10-6-9(15-11(10)17-12)5-3-4-8(14)7-13/h9-11,13H,3-7H2,1-2H3/t9-,10-,11?/m1/s1
InChIKeyDVEGINXATWIYOB-DIOIDXFWSA-N
MW244.29 g/mol
LogP0.98
Rot. Bonds5

About 5-[(5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-hydroxypentan-2-one

5-[(5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-hydroxypentan-2-one (PubChem CID 58058293) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-[(5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-hydroxypentan-2-one.

Molecular Properties

Compound Name5-[(5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-hydroxypentan-2-one
PubChem CID58058293
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name5-[(5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-hydroxypentan-2-one
SMILESCC1(C)OC2O[C@H](CCCC(=O)CO)C[C@H]2O1
InChIInChI=1S/C12H20O5/c1-12(2)16-10-6-9(15-11(10)17-12)5-3-4-8(14)7-13/h9-11,13H,3-7H2,1-2H3/t9-,10-,11?/m1/s1
InChIKeyDVEGINXATWIYOB-DIOIDXFWSA-N
XLogP0.98
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-hydroxypentan-2-one with MolForge

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Related Compounds

4-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]butan-2-one
CID 10868517
(5S)-5-hydroxy-1-(2-methyl-1,3-dioxolan-2-yl)heptan-4-one
CID 14444543
1-[4-(Hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]propan-2-one
CID 14215242
1-[(3aR,5S,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-hydroxypropan-2-one
CID 66741305
1-[(3aR,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-hydroxypropan-2-one
CID 66741409
1-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]pentane-1,3-dione
CID 70182816
1-[(3aR,4R,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]pentane-1,3-dione
CID 70182817
1-[(3aR,4R,6S,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]pentane-1,3-dione
CID 70271869
4-[(5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]butan-2-one
CID 70790217
(7S)-1-(1,3-dioxolan-2-yl)-7-hydroxydecan-3-one
CID 132155465
1-[(3aR,5R,6S,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-hydroxypropan-2-one
CID 158335200
3-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propanal
CID 10943881

Frequently Asked Questions

What is the IUPAC name of 5-[(5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-hydroxypentan-2-one?
The IUPAC name of 5-[(5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-hydroxypentan-2-one (CID 58058293) is 5-[(5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-hydroxypentan-2-one.
What is the SMILES notation for 5-[(5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-hydroxypentan-2-one?
The canonical SMILES for 5-[(5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-hydroxypentan-2-one is CC1(C)OC2O[C@H](CCCC(=O)CO)C[C@H]2O1.
What is the InChIKey of 5-[(5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-hydroxypentan-2-one?
The InChIKey is DVEGINXATWIYOB-DIOIDXFWSA-N. The full InChI is InChI=1S/C12H20O5/c1-12(2)16-10-6-9(15-11(10)17-12)5-3-4-8(14)7-13/h9-11,13H,3-7H2,1-2H3/t9-,10-,11?/m1/s1.
What are the key properties of 5-[(5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-hydroxypentan-2-one?
5-[(5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-hydroxypentan-2-one has a molecular weight of 244.29 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5R,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-hydroxypentan-2-one is sourced from PubChem (CID 58058293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).