2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pentanoic acid

C10H16O5 — CID 101347893

IUPAC2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pentanoic acid
SMILESCCCC(C(=O)O)C1OC(C)(C)OC1=O
InChIInChI=1S/C10H16O5/c1-4-5-6(8(11)12)7-9(13)15-10(2,3)14-7/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyJOMVBIDVPRUPOX-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.17
Rot. Bonds4

About 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pentanoic acid

2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pentanoic acid (PubChem CID 101347893) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pentanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pentanoic acid
PubChem CID101347893
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pentanoic acid
SMILESCCCC(C(=O)O)C1OC(C)(C)OC1=O
InChIInChI=1S/C10H16O5/c1-4-5-6(8(11)12)7-9(13)15-10(2,3)14-7/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyJOMVBIDVPRUPOX-UHFFFAOYSA-N
XLogP1.17
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]pent-4-enoic acid
CID 59875758
(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]pent-4-ynoic acid
CID 57221642
(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-3-naphthalen-2-ylpropanoic acid
CID 71601195
(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-N-[(2S)-1-(2-methoxyethylamino)-3,3-dimethyl-1-oxobutan-2-yl]undecanamide
CID 139760841
tert-butyl-[1-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-2-methylsulfanylethyl]carbamic acid
CID 175089820
(5S)-5-[(2R)-5-(4-ethoxyphenyl)-1-[4-[methyl(propyl)amino]piperidin-1-yl]-1-oxopentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-one
CID 59432787
(5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one
CID 10975778
5-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-1-hydroxyethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 54749074
ethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate
CID 147020402
(5S)-5-[(2S)-1-[(2R)-4-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylpiperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-one
CID 67333808
bis(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl) propanedioate
CID 129027488
(5R)-5-hept-2-ynyl-2,2-dimethyl-1,3-dioxolan-4-one
CID 11769758

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pentanoic acid?
The IUPAC name of 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pentanoic acid (CID 101347893) is 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pentanoic acid.
What is the SMILES notation for 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pentanoic acid?
The canonical SMILES for 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pentanoic acid is CCCC(C(=O)O)C1OC(C)(C)OC1=O.
What is the InChIKey of 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pentanoic acid?
The InChIKey is JOMVBIDVPRUPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-4-5-6(8(11)12)7-9(13)15-10(2,3)14-7/h6-7H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pentanoic acid?
2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pentanoic acid has a molecular weight of 216.23 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)pentanoic acid is sourced from PubChem (CID 101347893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).