[(1R,2R)-3-oxo-1-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2-prop-2-enoxypropyl] formate

C10H12O7 — CID 134987506

IUPAC[(1R,2R)-3-oxo-1-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2-prop-2-enoxypropyl] formate
SMILESC=CCO[C@@H](C=O)[C@H](OC=O)[C@H]1COC(=O)O1
InChIInChI=1S/C10H12O7/c1-2-3-14-7(4-11)9(16-6-12)8-5-15-10(13)17-8/h2,4,6-9H,1,3,5H2/t7-,8+,9-/m0/s1
InChIKeySWOWKEIPPIPIFD-YIZRAAEISA-N
MW244.20 g/mol
LogP-0.17
Rot. Bonds8

About [(1R,2R)-3-oxo-1-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2-prop-2-enoxypropyl] formate

[(1R,2R)-3-oxo-1-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2-prop-2-enoxypropyl] formate (PubChem CID 134987506) has the molecular formula C10H12O7 and a molecular weight of 244.20 g/mol. Its IUPAC name is [(1R,2R)-3-oxo-1-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2-prop-2-enoxypropyl] formate.

Molecular Properties

Compound Name[(1R,2R)-3-oxo-1-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2-prop-2-enoxypropyl] formate
PubChem CID134987506
Molecular FormulaC10H12O7
Molecular Weight244.20 g/mol
Exact Mass244.06
IUPAC Name[(1R,2R)-3-oxo-1-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2-prop-2-enoxypropyl] formate
SMILESC=CCO[C@@H](C=O)[C@H](OC=O)[C@H]1COC(=O)O1
InChIInChI=1S/C10H12O7/c1-2-3-14-7(4-11)9(16-6-12)8-5-15-10(13)17-8/h2,4,6-9H,1,3,5H2/t7-,8+,9-/m0/s1
InChIKeySWOWKEIPPIPIFD-YIZRAAEISA-N
XLogP-0.17
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3aR,5S,6S,6aR)-5-formyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] prop-2-enoate
CID 11345509
(3aR,5S,6S,6aR)-6-(Allyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole-5-carbaldehyde
CID 11806417
(2S,3R,4R,5S)-4,5-dihydroxy-3-prop-2-enoxyoxolane-2-carbaldehyde
CID 91133806
5-(Allyloxy)-3-ethoxydihydro-5-methylfuran-2(3H)-one
CID 3024599
Bis(prop-2-enyl) 2-oxo-1,3-dioxolane-4,5-dicarboxylate
CID 122636061
Bis(prop-2-enyl) 1,3-dioxolane-4,5-dicarboxylate
CID 134599829
(5-Formyl-4-prop-2-enoyloxyoxolan-3-yl) prop-2-enoate
CID 140334663
(3aS,5S,6R,6aS)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbaldehyde
CID 11117796
(3aR,4R,6S,6aR)-2,2-dimethyl-4-prop-2-enoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde
CID 11128045
(3aR,5S,6R,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbaldehyde
CID 11138886
(3aR,5S,6R,6aR)-6-[(E)-but-2-enoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbaldehyde
CID 11680313
(3aR,5S,6S,6aR)-6-[(E)-but-2-enoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbaldehyde
CID 12170085

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-3-oxo-1-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2-prop-2-enoxypropyl] formate?
The IUPAC name of [(1R,2R)-3-oxo-1-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2-prop-2-enoxypropyl] formate (CID 134987506) is [(1R,2R)-3-oxo-1-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2-prop-2-enoxypropyl] formate.
What is the SMILES notation for [(1R,2R)-3-oxo-1-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2-prop-2-enoxypropyl] formate?
The canonical SMILES for [(1R,2R)-3-oxo-1-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2-prop-2-enoxypropyl] formate is C=CCO[C@@H](C=O)[C@H](OC=O)[C@H]1COC(=O)O1.
What is the InChIKey of [(1R,2R)-3-oxo-1-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2-prop-2-enoxypropyl] formate?
The InChIKey is SWOWKEIPPIPIFD-YIZRAAEISA-N. The full InChI is InChI=1S/C10H12O7/c1-2-3-14-7(4-11)9(16-6-12)8-5-15-10(13)17-8/h2,4,6-9H,1,3,5H2/t7-,8+,9-/m0/s1.
What are the key properties of [(1R,2R)-3-oxo-1-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2-prop-2-enoxypropyl] formate?
[(1R,2R)-3-oxo-1-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2-prop-2-enoxypropyl] formate has a molecular weight of 244.20 g/mol, XLogP of -0.17, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-3-oxo-1-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2-prop-2-enoxypropyl] formate is sourced from PubChem (CID 134987506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).