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

C19H30O8 — CID 135009671

IUPAC1-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl acetate
SMILESC=CCC(OC(C)=O)[C@H]1OC(C)(C)O[C@H]1[C@H](OC(C)=O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C19H30O8/c1-8-9-13(23-11(2)20)16-17(27-19(6,7)26-16)15(24-12(3)21)14-10-22-18(4,5)25-14/h8,13-17H,1,9-10H2,2-7H3/t13?,14-,15-,16-,17+/m1/s1
InChIKeyIGMKRNJXPKUAAQ-UXVQCPNWSA-N
MW386.44 g/mol
LogP2.10
Rot. Bonds7

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

1-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl acetate (PubChem CID 135009671) has the molecular formula C19H30O8 and a molecular weight of 386.44 g/mol. Its IUPAC name is 1-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl acetate.

Molecular Properties

Compound Name1-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl acetate
PubChem CID135009671
Molecular FormulaC19H30O8
Molecular Weight386.44 g/mol
Exact Mass386.19
IUPAC Name1-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl acetate
SMILESC=CCC(OC(C)=O)[C@H]1OC(C)(C)O[C@H]1[C@H](OC(C)=O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C19H30O8/c1-8-9-13(23-11(2)20)16-17(27-19(6,7)26-16)15(24-12(3)21)14-10-22-18(4,5)25-14/h8,13-17H,1,9-10H2,2-7H3/t13?,14-,15-,16-,17+/m1/s1
InChIKeyIGMKRNJXPKUAAQ-UXVQCPNWSA-N
XLogP2.10
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl acetate?
The IUPAC name of 1-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl acetate (CID 135009671) is 1-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl acetate.
What is the SMILES notation for 1-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl acetate?
The canonical SMILES for 1-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl acetate is C=CCC(OC(C)=O)[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 1-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl acetate?
The InChIKey is IGMKRNJXPKUAAQ-UXVQCPNWSA-N. The full InChI is InChI=1S/C19H30O8/c1-8-9-13(23-11(2)20)16-17(27-19(6,7)26-16)15(24-12(3)21)14-10-22-18(4,5)25-14/h8,13-17H,1,9-10H2,2-7H3/t13?,14-,15-,16-,17+/m1/s1.
What are the key properties of 1-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl acetate?
1-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl acetate has a molecular weight of 386.44 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl acetate is sourced from PubChem (CID 135009671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).