3-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2H-furan-5-one

C10H12O5 — CID 135038491

IUPAC3-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2H-furan-5-one
SMILESCC1(C)OC[C@H](C(=O)C2=CC(=O)OC2)O1
InChIInChI=1S/C10H12O5/c1-10(2)14-5-7(15-10)9(12)6-3-8(11)13-4-6/h3,7H,4-5H2,1-2H3/t7-/m1/s1
InChIKeyHYFSRJLQRFYCFE-SSDOTTSWSA-N
MW212.20 g/mol
LogP0.19
Rot. Bonds2

About 3-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2H-furan-5-one

3-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2H-furan-5-one (PubChem CID 135038491) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 3-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2H-furan-5-one
PubChem CID135038491
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name3-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2H-furan-5-one
SMILESCC1(C)OC[C@H](C(=O)C2=CC(=O)OC2)O1
InChIInChI=1S/C10H12O5/c1-10(2)14-5-7(15-10)9(12)6-3-8(11)13-4-6/h3,7H,4-5H2,1-2H3/t7-/m1/s1
InChIKeyHYFSRJLQRFYCFE-SSDOTTSWSA-N
XLogP0.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,6S)-4-[(Acetyloxy)methyl]-6-(3-methylbutoxy)-3-oxo-3,6-dihydro-2H-pyran-2-yl]methyl 2,2-dimethylpropanoate
CID 53304831
diethyl 2-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxoethylidene]propanedioate
CID 10891924
[2-[(4S,5S)-5-[(Z)-3-ethoxy-3-oxoprop-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxoethyl] 2,2-dimethylpropanoate
CID 11233167
ethyl (Z)-3-[(4S,5S)-5-acetyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11299489
ethyl (E)-3-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 101472097
ethyl (Z)-3-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 101472098
(3aR,6aR)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 11252227
(3aS,6aS)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 11480669
ethyl (E)-3-[(4S,5S)-5-(2-acetyloxyacetyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enoate
CID 10935924
ethyl (E)-3-[(4S,5S)-5-acetyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enoate
CID 11086362
2,2,5-Trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 18341653
[(4R,5R)-2,2-dimethyl-5-(5-oxo-2H-furan-3-yl)-1,3-dioxolan-4-yl]methyl butanoate
CID 44470899

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2H-furan-5-one?
The IUPAC name of 3-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2H-furan-5-one (CID 135038491) is 3-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2H-furan-5-one.
What is the SMILES notation for 3-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2H-furan-5-one?
The canonical SMILES for 3-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2H-furan-5-one is CC1(C)OC[C@H](C(=O)C2=CC(=O)OC2)O1.
What is the InChIKey of 3-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2H-furan-5-one?
The InChIKey is HYFSRJLQRFYCFE-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12O5/c1-10(2)14-5-7(15-10)9(12)6-3-8(11)13-4-6/h3,7H,4-5H2,1-2H3/t7-/m1/s1.
What are the key properties of 3-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2H-furan-5-one?
3-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2H-furan-5-one has a molecular weight of 212.20 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-2H-furan-5-one is sourced from PubChem (CID 135038491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).