(2R)-2-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2H-furan-5-one

C11H16O4 — CID 134989172

IUPAC(2R)-2-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2H-furan-5-one
SMILESC[C@@H]([C@@H]1COC(C)(C)O1)[C@H]1C=CC(=O)O1
InChIInChI=1S/C11H16O4/c1-7(8-4-5-10(12)14-8)9-6-13-11(2,3)15-9/h4-5,7-9H,6H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyYDCQONBJCDMRHH-HLTSFMKQSA-N
MW212.25 g/mol
LogP1.26
Rot. Bonds2

About (2R)-2-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2H-furan-5-one

(2R)-2-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2H-furan-5-one (PubChem CID 134989172) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2H-furan-5-one
PubChem CID134989172
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Name(2R)-2-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2H-furan-5-one
SMILESC[C@@H]([C@@H]1COC(C)(C)O1)[C@H]1C=CC(=O)O1
InChIInChI=1S/C11H16O4/c1-7(8-4-5-10(12)14-8)9-6-13-11(2,3)15-9/h4-5,7-9H,6H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyYDCQONBJCDMRHH-HLTSFMKQSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2H-furan-5-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl (E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoate
CID 12066275
ethyl (E)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoate
CID 121016048
ethyl (E)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoate
CID 10635888
ethyl (2E)-2-[(3S,4S)-4-methoxy-3-prop-2-enyloxolan-2-ylidene]acetate
CID 11413488
methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-4-methylpent-2-enoate
CID 11615686
ethyl (E,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-2-enoate
CID 12164129
(1R,3R,6E,9R,12E,14R)-3,9,16,16-tetramethyl-4,10,15,17-tetraoxabicyclo[12.3.0]heptadeca-6,12-diene-5,11-dione
CID 13858773
methyl (E)-3-[2-[(3S)-3-acetyloxybutyl]-1,3-dioxolan-2-yl]prop-2-enoate
CID 15297896
ethyl (E)-3-[(4S,5S)-4-methyl-2-oxo-5-propan-2-yl-1,3-dioxolan-4-yl]prop-2-enoate
CID 16088086
ethyl (E,4S)-6-(1,3-dioxolan-2-yl)-4-methylhex-2-enoate
CID 24822224
(2R)-2-[(4R,5R)-2,2-dimethyl-5-[(2R)-5-oxo-2H-furan-2-yl]-1,3-dioxolan-4-yl]-2H-furan-5-one
CID 101237642
(1S,2E,6S,10E,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadeca-2,10-dien-4-one
CID 134836687

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2H-furan-5-one (CID 134989172) is (2R)-2-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2H-furan-5-one is C[C@@H]([C@@H]1COC(C)(C)O1)[C@H]1C=CC(=O)O1.
What is the InChIKey of (2R)-2-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2H-furan-5-one?
The InChIKey is YDCQONBJCDMRHH-HLTSFMKQSA-N. The full InChI is InChI=1S/C11H16O4/c1-7(8-4-5-10(12)14-8)9-6-13-11(2,3)15-9/h4-5,7-9H,6H2,1-3H3/t7-,8-,9+/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2H-furan-5-one?
(2R)-2-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2H-furan-5-one has a molecular weight of 212.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2H-furan-5-one is sourced from PubChem (CID 134989172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).