2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoyloxymethyl]prop-2-enyl prop-2-enoate

C15H20O6 — CID 135010976

IUPAC2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoyloxymethyl]prop-2-enyl prop-2-enoate
SMILESC=CC(=O)OCC(=C)[C@H](OC(=O)C=C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H20O6/c1-6-12(16)18-8-10(3)14(20-13(17)7-2)11-9-19-15(4,5)21-11/h6-7,11,14H,1-3,8-9H2,4-5H3/t11-,14+/m1/s1
InChIKeyQZMXDFVHBSWYPY-RISCZKNCSA-N
MW296.32 g/mol
LogP1.52
Rot. Bonds7

About 2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoyloxymethyl]prop-2-enyl prop-2-enoate

2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoyloxymethyl]prop-2-enyl prop-2-enoate (PubChem CID 135010976) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoyloxymethyl]prop-2-enyl prop-2-enoate.

Molecular Properties

Compound Name2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoyloxymethyl]prop-2-enyl prop-2-enoate
PubChem CID135010976
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoyloxymethyl]prop-2-enyl prop-2-enoate
SMILESC=CC(=O)OCC(=C)[C@H](OC(=O)C=C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H20O6/c1-6-12(16)18-8-10(3)14(20-13(17)7-2)11-9-19-15(4,5)21-11/h6-7,11,14H,1-3,8-9H2,4-5H3/t11-,14+/m1/s1
InChIKeyQZMXDFVHBSWYPY-RISCZKNCSA-N
XLogP1.52
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoyloxymethyl]prop-2-enyl prop-2-enoate?
The IUPAC name of 2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoyloxymethyl]prop-2-enyl prop-2-enoate (CID 135010976) is 2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoyloxymethyl]prop-2-enyl prop-2-enoate.
What is the SMILES notation for 2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoyloxymethyl]prop-2-enyl prop-2-enoate?
The canonical SMILES for 2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoyloxymethyl]prop-2-enyl prop-2-enoate is C=CC(=O)OCC(=C)[C@H](OC(=O)C=C)[C@H]1COC(C)(C)O1.
What is the InChIKey of 2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoyloxymethyl]prop-2-enyl prop-2-enoate?
The InChIKey is QZMXDFVHBSWYPY-RISCZKNCSA-N. The full InChI is InChI=1S/C15H20O6/c1-6-12(16)18-8-10(3)14(20-13(17)7-2)11-9-19-15(4,5)21-11/h6-7,11,14H,1-3,8-9H2,4-5H3/t11-,14+/m1/s1.
What are the key properties of 2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoyloxymethyl]prop-2-enyl prop-2-enoate?
2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoyloxymethyl]prop-2-enyl prop-2-enoate has a molecular weight of 296.32 g/mol, XLogP of 1.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-prop-2-enoyloxymethyl]prop-2-enyl prop-2-enoate is sourced from PubChem (CID 135010976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).