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

C18H30O6 — CID 14885357

IUPAC[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2,2-dimethylpropanoate
SMILESC=C[C@H]1OC(C)(C)O[C@H]1[C@H](OC(=O)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C18H30O6/c1-9-11-14(24-18(7,8)22-11)13(21-15(19)16(2,3)4)12-10-20-17(5,6)23-12/h9,11-14H,1,10H2,2-8H3/t11-,12-,13-,14-/m1/s1
InChIKeyQMBNZUZTOLSBQJ-AAVRWANBSA-N
MW342.43 g/mol
LogP2.80
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] 2,2-dimethylpropanoate

[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2,2-dimethylpropanoate (PubChem CID 14885357) has the molecular formula C18H30O6 and a molecular weight of 342.43 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] 2,2-dimethylpropanoate.

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] 2,2-dimethylpropanoate
PubChem CID14885357
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
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] 2,2-dimethylpropanoate
SMILESC=C[C@H]1OC(C)(C)O[C@H]1[C@H](OC(=O)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C18H30O6/c1-9-11-14(24-18(7,8)22-11)13(21-15(19)16(2,3)4)12-10-20-17(5,6)23-12/h9,11-14H,1,10H2,2-8H3/t11-,12-,13-,14-/m1/s1
InChIKeyQMBNZUZTOLSBQJ-AAVRWANBSA-N
XLogP2.80
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.80
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] 2,2-dimethylpropanoate?
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] 2,2-dimethylpropanoate (CID 14885357) is [(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2,2-dimethylpropanoate.
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] 2,2-dimethylpropanoate?
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] 2,2-dimethylpropanoate is C=C[C@H]1OC(C)(C)O[C@H]1[C@H](OC(=O)C(C)(C)C)[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] 2,2-dimethylpropanoate?
The InChIKey is QMBNZUZTOLSBQJ-AAVRWANBSA-N. The full InChI is InChI=1S/C18H30O6/c1-9-11-14(24-18(7,8)22-11)13(21-15(19)16(2,3)4)12-10-20-17(5,6)23-12/h9,11-14H,1,10H2,2-8H3/t11-,12-,13-,14-/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] 2,2-dimethylpropanoate?
[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2,2-dimethylpropanoate has a molecular weight of 342.43 g/mol, XLogP of 2.80, 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] 2,2-dimethylpropanoate is sourced from PubChem (CID 14885357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).