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

C10H14O5 — CID 10998371

IUPAC(2R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-2H-furan-5-one
SMILESCC1(C)OC[C@@H](C2=CC(=O)O[C@H]2CO)O1
InChIInChI=1S/C10H14O5/c1-10(2)13-5-8(15-10)6-3-9(12)14-7(6)4-11/h3,7-8,11H,4-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyPLTKCHGMDAWVHX-YUMQZZPRSA-N
MW214.22 g/mol
LogP-0.02
Rot. Bonds2

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

(2R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-2H-furan-5-one (PubChem CID 10998371) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (2R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-2H-furan-5-one
PubChem CID10998371
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(2R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-2H-furan-5-one
SMILESCC1(C)OC[C@@H](C2=CC(=O)O[C@H]2CO)O1
InChIInChI=1S/C10H14O5/c1-10(2)13-5-8(15-10)6-3-9(12)14-7(6)4-11/h3,7-8,11H,4-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyPLTKCHGMDAWVHX-YUMQZZPRSA-N
XLogP-0.02
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanal
CID 117340421
2-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrimidin-5-ol
CID 168998357
(2R)-3-[(1R)-1,2-dihydroxyethyl]-2-(hydroxymethyl)-2H-furan-5-one
CID 11052134
2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]acetic acid
CID 117344858
(4R)-2,2-dimethyl-4-phenyl-1,3-dioxolane
CID 11344328
[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyloxiran-2-yl]methanol
CID 131201511
2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-oxoacetic acid
CID 117378520
(3aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-3a-(hydroxymethyl)-2,2-dimethylfuro[3,4-d][1,3]dioxol-4-one
CID 90402150
2-amino-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanol
CID 117347005
(3aR,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
CID 11230242
4-(2,2-dimethyl-1,3-dioxolan-4-yl)aniline
CID 117275390
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxy-2H-furan-5-one;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 161217001

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-2H-furan-5-one?
The IUPAC name of (2R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-2H-furan-5-one (CID 10998371) is (2R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-2H-furan-5-one.
What is the SMILES notation for (2R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-2H-furan-5-one?
The canonical SMILES for (2R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-2H-furan-5-one is CC1(C)OC[C@@H](C2=CC(=O)O[C@H]2CO)O1.
What is the InChIKey of (2R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-2H-furan-5-one?
The InChIKey is PLTKCHGMDAWVHX-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H14O5/c1-10(2)13-5-8(15-10)6-3-9(12)14-7(6)4-11/h3,7-8,11H,4-5H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-2H-furan-5-one?
(2R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-2H-furan-5-one has a molecular weight of 214.22 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(hydroxymethyl)-2H-furan-5-one is sourced from PubChem (CID 10998371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).