[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate

C15H24O6 — CID 11098607

IUPAC[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate
SMILESC=C[C@H]1OC(C)(C)O[C@H]1[C@H](OC(C)=O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H24O6/c1-7-10-13(21-15(5,6)19-10)12(18-9(2)16)11-8-17-14(3,4)20-11/h7,10-13H,1,8H2,2-6H3/t10-,11-,12-,13-/m1/s1
InChIKeyPXPWXHWMEFITDN-FDYHWXHSSA-N
MW300.35 g/mol
LogP1.78
Rot. Bonds4

About [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate

[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate (PubChem CID 11098607) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate.

Molecular Properties

Compound Name[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate
PubChem CID11098607
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate
SMILESC=C[C@H]1OC(C)(C)O[C@H]1[C@H](OC(C)=O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H24O6/c1-7-10-13(21-15(5,6)19-10)12(18-9(2)16)11-8-17-14(3,4)20-11/h7,10-13H,1,8H2,2-6H3/t10-,11-,12-,13-/m1/s1
InChIKeyPXPWXHWMEFITDN-FDYHWXHSSA-N
XLogP1.78
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate?
The IUPAC name of [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate (CID 11098607) is [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate.
What is the SMILES notation for [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate?
The canonical SMILES for [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate is C=C[C@H]1OC(C)(C)O[C@H]1[C@H](OC(C)=O)[C@H]1COC(C)(C)O1.
What is the InChIKey of [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate?
The InChIKey is PXPWXHWMEFITDN-FDYHWXHSSA-N. The full InChI is InChI=1S/C15H24O6/c1-7-10-13(21-15(5,6)19-10)12(18-9(2)16)11-8-17-14(3,4)20-11/h7,10-13H,1,8H2,2-6H3/t10-,11-,12-,13-/m1/s1.
What are the key properties of [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate?
[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate has a molecular weight of 300.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] acetate is sourced from PubChem (CID 11098607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).