(4S)-4-hydroxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one

C11H20O4 — CID 118551569

IUPAC(4S)-4-hydroxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one
SMILESCC(=O)C[C@H](O)CC1(C)OC(C)C(C)O1
InChIInChI=1S/C11H20O4/c1-7(12)5-10(13)6-11(4)14-8(2)9(3)15-11/h8-10,13H,5-6H2,1-4H3/t8?,9?,10-,11?/m0/s1
InChIKeyKWCOQUHENGSNBM-MWJCJQSMSA-N
MW216.28 g/mol
LogP1.26
Rot. Bonds4

About (4S)-4-hydroxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one

(4S)-4-hydroxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one (PubChem CID 118551569) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (4S)-4-hydroxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one
PubChem CID118551569
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(4S)-4-hydroxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one
SMILESCC(=O)C[C@H](O)CC1(C)OC(C)C(C)O1
InChIInChI=1S/C11H20O4/c1-7(12)5-10(13)6-11(4)14-8(2)9(3)15-11/h8-10,13H,5-6H2,1-4H3/t8?,9?,10-,11?/m0/s1
InChIKeyKWCOQUHENGSNBM-MWJCJQSMSA-N
XLogP1.26
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one?
The IUPAC name of (4S)-4-hydroxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one (CID 118551569) is (4S)-4-hydroxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one.
What is the SMILES notation for (4S)-4-hydroxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one?
The canonical SMILES for (4S)-4-hydroxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one is CC(=O)C[C@H](O)CC1(C)OC(C)C(C)O1.
What is the InChIKey of (4S)-4-hydroxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one?
The InChIKey is KWCOQUHENGSNBM-MWJCJQSMSA-N. The full InChI is InChI=1S/C11H20O4/c1-7(12)5-10(13)6-11(4)14-8(2)9(3)15-11/h8-10,13H,5-6H2,1-4H3/t8?,9?,10-,11?/m0/s1.
What are the key properties of (4S)-4-hydroxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one?
(4S)-4-hydroxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one is sourced from PubChem (CID 118551569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).