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

C11H20O4 — CID 59821308

IUPAC(4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxypentan-2-one
SMILESCO[C@@H](CC(C)=O)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O4/c1-8(12)5-9(13-4)6-10-7-14-11(2,3)15-10/h9-10H,5-7H2,1-4H3/t9-,10-/m0/s1
InChIKeyOTQUZZFJZPQYAT-UWVGGRQHSA-N
MW216.28 g/mol
LogP1.52
Rot. Bonds5

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

(4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxypentan-2-one (PubChem CID 59821308) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxypentan-2-one.

Molecular Properties

Compound Name(4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxypentan-2-one
PubChem CID59821308
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxypentan-2-one
SMILESCO[C@@H](CC(C)=O)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O4/c1-8(12)5-9(13-4)6-10-7-14-11(2,3)15-10/h9-10H,5-7H2,1-4H3/t9-,10-/m0/s1
InChIKeyOTQUZZFJZPQYAT-UWVGGRQHSA-N
XLogP1.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxypentan-2-one?
The IUPAC name of (4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxypentan-2-one (CID 59821308) is (4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxypentan-2-one.
What is the SMILES notation for (4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxypentan-2-one?
The canonical SMILES for (4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxypentan-2-one is CO[C@@H](CC(C)=O)C[C@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxypentan-2-one?
The InChIKey is OTQUZZFJZPQYAT-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20O4/c1-8(12)5-9(13-4)6-10-7-14-11(2,3)15-10/h9-10H,5-7H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of (4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxypentan-2-one?
(4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxypentan-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxypentan-2-one is sourced from PubChem (CID 59821308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).