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

C11H20O3 — CID 10536039

IUPAC5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-2-one
SMILESCC(=O)CCC[C@@]1(C)COC(C)(C)O1
InChIInChI=1S/C11H20O3/c1-9(12)6-5-7-11(4)8-13-10(2,3)14-11/h5-8H2,1-4H3/t11-/m0/s1
InChIKeyMPNNZKMDAYJLBY-NSHDSACASA-N
MW200.28 g/mol
LogP2.29
Rot. Bonds4

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

5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-2-one (PubChem CID 10536039) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-2-one.

Molecular Properties

Compound Name5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-2-one
PubChem CID10536039
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-2-one
SMILESCC(=O)CCC[C@@]1(C)COC(C)(C)O1
InChIInChI=1S/C11H20O3/c1-9(12)6-5-7-11(4)8-13-10(2,3)14-11/h5-8H2,1-4H3/t11-/m0/s1
InChIKeyMPNNZKMDAYJLBY-NSHDSACASA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-2-one 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 5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-2-one?
The IUPAC name of 5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-2-one (CID 10536039) is 5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-2-one.
What is the SMILES notation for 5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-2-one?
The canonical SMILES for 5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-2-one is CC(=O)CCC[C@@]1(C)COC(C)(C)O1.
What is the InChIKey of 5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-2-one?
The InChIKey is MPNNZKMDAYJLBY-NSHDSACASA-N. The full InChI is InChI=1S/C11H20O3/c1-9(12)6-5-7-11(4)8-13-10(2,3)14-11/h5-8H2,1-4H3/t11-/m0/s1.
What are the key properties of 5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-2-one?
5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-2-one has a molecular weight of 200.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-2-one is sourced from PubChem (CID 10536039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).