3-[1-(1,3-dioxolan-2-yl)propyl]-4-methyloxolane-2,5-dione

C11H16O5 — CID 22898121

IUPAC3-[1-(1,3-dioxolan-2-yl)propyl]-4-methyloxolane-2,5-dione
SMILESCCC(C1OCCO1)C1C(=O)OC(=O)C1C
InChIInChI=1S/C11H16O5/c1-3-7(11-14-4-5-15-11)8-6(2)9(12)16-10(8)13/h6-8,11H,3-5H2,1-2H3
InChIKeyGKKPDCCDXSTXNF-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.72
Rot. Bonds3

About 3-[1-(1,3-dioxolan-2-yl)propyl]-4-methyloxolane-2,5-dione

3-[1-(1,3-dioxolan-2-yl)propyl]-4-methyloxolane-2,5-dione (PubChem CID 22898121) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 3-[1-(1,3-dioxolan-2-yl)propyl]-4-methyloxolane-2,5-dione.

Molecular Properties

Compound Name3-[1-(1,3-dioxolan-2-yl)propyl]-4-methyloxolane-2,5-dione
PubChem CID22898121
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name3-[1-(1,3-dioxolan-2-yl)propyl]-4-methyloxolane-2,5-dione
SMILESCCC(C1OCCO1)C1C(=O)OC(=O)C1C
InChIInChI=1S/C11H16O5/c1-3-7(11-14-4-5-15-11)8-6(2)9(12)16-10(8)13/h6-8,11H,3-5H2,1-2H3
InChIKeyGKKPDCCDXSTXNF-UHFFFAOYSA-N
XLogP0.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Triethoxypropylsuccinic anhydride
CID 87178326
[(2R,3R,3aR,6aR)-3-tert-butyl-5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate
CID 101536634
Ethyl 3-(2-methyl-1,3-dioxolan-2-yl)-2-(oxolan-3-yl)propanoate
CID 135038986
4,6-Dimethoxyhexahydrocyclobuta[1,2-c:3,4-c']difuran-1,3-dione
CID 91732284
Dimethyl 2,4-dimethoxy-3-oxabicyclo[3.2.0]heptane-6,7-dicarboxylate
CID 91738051
(3R,4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-3,4-dimethyloxolan-2-one
CID 102593602
Ethyl 4-(1,3-dioxolan-2-yl)-2-ethylbutanoate
CID 121221361
Methyl 4-(1,3-dioxolan-2-yl)hexanoate
CID 15014807
3-(1,1-Diethoxybutan-2-yl)-4-methyloxolane-2,5-dione
CID 18716736
3-(1,1-Dimethoxy-2-methylbutan-2-yl)-4-methyloxolane-2,5-dione
CID 18716737
3-(1,1-Dimethoxybutan-2-yl)-4-methyloxolane-2,5-dione
CID 18716738
3-[1-(1,3-Dioxan-2-yl)propyl]-4-methyloxolane-2,5-dione
CID 22898120

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-dioxolan-2-yl)propyl]-4-methyloxolane-2,5-dione?
The IUPAC name of 3-[1-(1,3-dioxolan-2-yl)propyl]-4-methyloxolane-2,5-dione (CID 22898121) is 3-[1-(1,3-dioxolan-2-yl)propyl]-4-methyloxolane-2,5-dione.
What is the SMILES notation for 3-[1-(1,3-dioxolan-2-yl)propyl]-4-methyloxolane-2,5-dione?
The canonical SMILES for 3-[1-(1,3-dioxolan-2-yl)propyl]-4-methyloxolane-2,5-dione is CCC(C1OCCO1)C1C(=O)OC(=O)C1C.
What is the InChIKey of 3-[1-(1,3-dioxolan-2-yl)propyl]-4-methyloxolane-2,5-dione?
The InChIKey is GKKPDCCDXSTXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-3-7(11-14-4-5-15-11)8-6(2)9(12)16-10(8)13/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 3-[1-(1,3-dioxolan-2-yl)propyl]-4-methyloxolane-2,5-dione?
3-[1-(1,3-dioxolan-2-yl)propyl]-4-methyloxolane-2,5-dione has a molecular weight of 228.24 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-dioxolan-2-yl)propyl]-4-methyloxolane-2,5-dione is sourced from PubChem (CID 22898121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).