(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyoxolane-2,4-dione

C12H16O6 — CID 91422062

IUPAC(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyoxolane-2,4-dione
SMILESC=CCOC1C(=O)O[C@H]([C@@H]2COC(C)(C)O2)C1=O
InChIInChI=1S/C12H16O6/c1-4-5-15-10-8(13)9(17-11(10)14)7-6-16-12(2,3)18-7/h4,7,9-10H,1,5-6H2,2-3H3/t7-,9+,10?/m0/s1
InChIKeyUOYUMGBCXIAOPR-CEVVRISASA-N
MW256.25 g/mol
LogP0.20
Rot. Bonds4

About (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyoxolane-2,4-dione

(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyoxolane-2,4-dione (PubChem CID 91422062) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyoxolane-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyoxolane-2,4-dione
PubChem CID91422062
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyoxolane-2,4-dione
SMILESC=CCOC1C(=O)O[C@H]([C@@H]2COC(C)(C)O2)C1=O
InChIInChI=1S/C12H16O6/c1-4-5-15-10-8(13)9(17-11(10)14)7-6-16-12(2,3)18-7/h4,7,9-10H,1,5-6H2,2-3H3/t7-,9+,10?/m0/s1
InChIKeyUOYUMGBCXIAOPR-CEVVRISASA-N
XLogP0.20
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyoxolane-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

(4S)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione
CID 386049
(1S,2R,6R,8S,9S)-4,4-dimethyl-9-prop-2-enoxy-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
CID 10999663
[(3aR,6R,6aR)-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methyl prop-2-enyl carbonate
CID 131844441
ethyl 3-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropanoate
CID 11447866
ethyl 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropanoate
CID 11470532
3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropanoic acid
CID 68768942
3-(5-Ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-3-oxopropanoic acid
CID 68768943
4-Butoxy-5-(2,2-dimethyl-1,3-dioxolan-4-yl)oxolane-2,3-dione
CID 90926147
[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,4-dioxooxolan-3-yl] octadeca-6,9,12-trienoate
CID 91103131
5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-3-methoxyoxolane-2,4-dione
CID 123783300
prop-2-enyl (4R,5S)-5-[(4R,5S)-2,2-dimethyl-5-prop-2-enoxycarbonyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 134446865
prop-2-enyl (5S)-5-[(5S)-2,2-dimethyl-5-prop-2-enoxycarbonyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 134446866

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyoxolane-2,4-dione?
The IUPAC name of (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyoxolane-2,4-dione (CID 91422062) is (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyoxolane-2,4-dione.
What is the SMILES notation for (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyoxolane-2,4-dione?
The canonical SMILES for (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyoxolane-2,4-dione is C=CCOC1C(=O)O[C@H]([C@@H]2COC(C)(C)O2)C1=O.
What is the InChIKey of (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyoxolane-2,4-dione?
The InChIKey is UOYUMGBCXIAOPR-CEVVRISASA-N. The full InChI is InChI=1S/C12H16O6/c1-4-5-15-10-8(13)9(17-11(10)14)7-6-16-12(2,3)18-7/h4,7,9-10H,1,5-6H2,2-3H3/t7-,9+,10?/m0/s1.
What are the key properties of (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyoxolane-2,4-dione?
(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyoxolane-2,4-dione has a molecular weight of 256.25 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enoxyoxolane-2,4-dione is sourced from PubChem (CID 91422062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).