1-[(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone

C15H26O5 — CID 11673650

IUPAC1-[(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
SMILESCC(=O)[C@@H]1OC(C)(C)O[C@H]1[C@H](C)C[C@@H]1COC(C)(C)O1
InChIInChI=1S/C15H26O5/c1-9(7-11-8-17-14(3,4)18-11)12-13(10(2)16)20-15(5,6)19-12/h9,11-13H,7-8H2,1-6H3/t9-,11-,12+,13+/m1/s1
InChIKeyZIVGLCGYPDQHJW-XEZLXBQYSA-N
MW286.37 g/mol
LogP2.27
Rot. Bonds4

About 1-[(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone

1-[(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone (PubChem CID 11673650) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone.

Molecular Properties

Compound Name1-[(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
PubChem CID11673650
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name1-[(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
SMILESCC(=O)[C@@H]1OC(C)(C)O[C@H]1[C@H](C)C[C@@H]1COC(C)(C)O1
InChIInChI=1S/C15H26O5/c1-9(7-11-8-17-14(3,4)18-11)12-13(10(2)16)20-15(5,6)19-12/h9,11-13H,7-8H2,1-6H3/t9-,11-,12+,13+/m1/s1
InChIKeyZIVGLCGYPDQHJW-XEZLXBQYSA-N
XLogP2.27
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

(3S,4R,5S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-5-methyl-4-propan-2-yloxyhexan-2-one
CID 134855192
1-[(4R,5R)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 134856789
(3R,4S,5R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-5-methyl-4-propan-2-yloxyhexan-2-one
CID 134971286
(3R,4S,5R)-4-butan-2-yloxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-5-methylhexan-2-one
CID 135012655
(3R,4S,5R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-5-methyl-3-propan-2-yloxyhexan-2-one
CID 135036904
cyclohexyl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone
CID 22843766
1-[2-Methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolan-2-yl]ethanone
CID 58219228
5-[1-(2,2-Diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
CID 58940243
5-[3-(2,2-Diethyl-1,3-dioxolan-4-yl)butan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
CID 58940474
2-(2,2-Dimethyl-1,3-dioxolan-4-yl)-4,5-dimethyloxolan-3-one
CID 59859675
1,4-Dioxaspiro[4.4]nonan-9-yl(oxiran-2-yl)methanone
CID 88967930
cyclohexyl-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone
CID 10443161

Frequently Asked Questions

What is the IUPAC name of 1-[(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The IUPAC name of 1-[(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone (CID 11673650) is 1-[(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone.
What is the SMILES notation for 1-[(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The canonical SMILES for 1-[(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone is CC(=O)[C@@H]1OC(C)(C)O[C@H]1[C@H](C)C[C@@H]1COC(C)(C)O1.
What is the InChIKey of 1-[(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The InChIKey is ZIVGLCGYPDQHJW-XEZLXBQYSA-N. The full InChI is InChI=1S/C15H26O5/c1-9(7-11-8-17-14(3,4)18-11)12-13(10(2)16)20-15(5,6)19-12/h9,11-13H,7-8H2,1-6H3/t9-,11-,12+,13+/m1/s1.
What are the key properties of 1-[(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
1-[(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone has a molecular weight of 286.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone is sourced from PubChem (CID 11673650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).