(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanoic acid

C11H18O5 — CID 6398860

IUPAC(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)[C@@H]1OC(C)(C)OC1=O
InChIInChI=1S/C11H18O5/c1-6(2)5-7(9(12)13)8-10(14)16-11(3,4)15-8/h6-8H,5H2,1-4H3,(H,12,13)/t7-,8+/m1/s1
InChIKeyZUOVLWXPFQJYLF-SFYZADRCSA-N
MW230.26 g/mol
LogP1.41
Rot. Bonds4

About (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanoic acid

(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanoic acid (PubChem CID 6398860) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanoic acid
PubChem CID6398860
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)[C@@H]1OC(C)(C)OC1=O
InChIInChI=1S/C11H18O5/c1-6(2)5-7(9(12)13)8-10(14)16-11(3,4)15-8/h6-8H,5H2,1-4H3,(H,12,13)/t7-,8+/m1/s1
InChIKeyZUOVLWXPFQJYLF-SFYZADRCSA-N
XLogP1.41
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanoic acid (CID 6398860) is (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanoic acid is CC(C)C[C@@H](C(=O)O)[C@@H]1OC(C)(C)OC1=O.
What is the InChIKey of (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanoic acid?
The InChIKey is ZUOVLWXPFQJYLF-SFYZADRCSA-N. The full InChI is InChI=1S/C11H18O5/c1-6(2)5-7(9(12)13)8-10(14)16-11(3,4)15-8/h6-8H,5H2,1-4H3,(H,12,13)/t7-,8+/m1/s1.
What are the key properties of (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanoic acid?
(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanoic acid has a molecular weight of 230.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanoic acid is sourced from PubChem (CID 6398860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).