5-[(E)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]oxolan-2-one

C16H24O6 — CID 134878910

IUPAC5-[(E)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]oxolan-2-one
SMILESCC1(C)O[C@H]([C@H]2COC(C)(C)O2)[C@@H](/C=C/C2CCC(=O)O2)O1
InChIInChI=1S/C16H24O6/c1-15(2)18-9-12(21-15)14-11(20-16(3,4)22-14)7-5-10-6-8-13(17)19-10/h5,7,10-12,14H,6,8-9H2,1-4H3/b7-5+/t10?,11-,12-,14+/m1/s1
InChIKeyQAZQYOAEMJHNMD-GTOTWNGGSA-N
MW312.36 g/mol
LogP1.92
Rot. Bonds3

About 5-[(E)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]oxolan-2-one

5-[(E)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]oxolan-2-one (PubChem CID 134878910) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is 5-[(E)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]oxolan-2-one.

Molecular Properties

Compound Name5-[(E)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]oxolan-2-one
PubChem CID134878910
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name5-[(E)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]oxolan-2-one
SMILESCC1(C)O[C@H]([C@H]2COC(C)(C)O2)[C@@H](/C=C/C2CCC(=O)O2)O1
InChIInChI=1S/C16H24O6/c1-15(2)18-9-12(21-15)14-11(20-16(3,4)22-14)7-5-10-6-8-13(17)19-10/h5,7,10-12,14H,6,8-9H2,1-4H3/b7-5+/t10?,11-,12-,14+/m1/s1
InChIKeyQAZQYOAEMJHNMD-GTOTWNGGSA-N
XLogP1.92
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(E)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]oxolan-2-one with MolForge

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Related Compounds

methyl (E)-5-[(2S,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,4-dioxaspiro[4.5]decan-2-yl]pent-4-enoate
CID 12041137
(3aS,7R,9S,10E,11aS)-9-(methoxymethoxy)-2,2,7-trimethyl-3a,4,7,8,9,11a-hexahydro-[1,3]dioxolo[4,5-d]oxecin-5-one
CID 10494450
(3aS,5R,7aS)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one
CID 44519220
5-[(E)-2-[(4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]oxolan-2-one
CID 102077631
(3aS,5R,7aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one
CID 135017685
ethyl (Z,4S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)non-5-enoate
CID 10980857
methyl (Z)-7-[(4S,5R)-2,2-dimethyl-5-[(1Z,3E,5E,8Z)-undeca-1,3,5,8-tetraenyl]-1,3-dioxolan-4-yl]hept-5-enoate
CID 11069154
methyl 5-[(2S,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,4-dioxaspiro[4.5]decan-2-yl]pent-4-enoate
CID 57163731
[5-[2-(2,2-Diethyl-1,3-dioxolan-4-yl)ethenyl]-2,2-diethyl-1,3-dioxolan-4-yl]methyl acetate
CID 58940308
methyl (E)-5-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-1,4-dioxaspiro[4.5]decan-2-yl]pent-4-enoate
CID 59961743
Methyl 5-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-1,4-dioxaspiro[4.5]decan-2-yl]pent-4-enoate
CID 76485961
Cyclohexa-1,5-dien-1-yl 3-[4-(acetyloxymethyl)-2-methyl-1,3-dioxolan-2-yl]propanoate
CID 145087155

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]oxolan-2-one?
The IUPAC name of 5-[(E)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]oxolan-2-one (CID 134878910) is 5-[(E)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]oxolan-2-one.
What is the SMILES notation for 5-[(E)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]oxolan-2-one?
The canonical SMILES for 5-[(E)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]oxolan-2-one is CC1(C)O[C@H]([C@H]2COC(C)(C)O2)[C@@H](/C=C/C2CCC(=O)O2)O1.
What is the InChIKey of 5-[(E)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]oxolan-2-one?
The InChIKey is QAZQYOAEMJHNMD-GTOTWNGGSA-N. The full InChI is InChI=1S/C16H24O6/c1-15(2)18-9-12(21-15)14-11(20-16(3,4)22-14)7-5-10-6-8-13(17)19-10/h5,7,10-12,14H,6,8-9H2,1-4H3/b7-5+/t10?,11-,12-,14+/m1/s1.
What are the key properties of 5-[(E)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]oxolan-2-one?
5-[(E)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]oxolan-2-one has a molecular weight of 312.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]oxolan-2-one is sourced from PubChem (CID 134878910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).