5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methoxyoxolane-2,4-dione

C10H14O6 — CID 123783300

IUPAC5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methoxyoxolane-2,4-dione
SMILESCOC1C(=O)OC(C2COC(C)(C)O2)C1=O
InChIInChI=1S/C10H14O6/c1-10(2)14-4-5(16-10)7-6(11)8(13-3)9(12)15-7/h5,7-8H,4H2,1-3H3
InChIKeyVZWZFRGHYDOHQQ-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.35
Rot. Bonds2

About 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methoxyoxolane-2,4-dione

5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methoxyoxolane-2,4-dione (PubChem CID 123783300) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methoxyoxolane-2,4-dione.

Molecular Properties

Compound Name5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methoxyoxolane-2,4-dione
PubChem CID123783300
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methoxyoxolane-2,4-dione
SMILESCOC1C(=O)OC(C2COC(C)(C)O2)C1=O
InChIInChI=1S/C10H14O6/c1-10(2)14-4-5(16-10)7-6(11)8(13-3)9(12)15-7/h5,7-8H,4H2,1-3H3
InChIKeyVZWZFRGHYDOHQQ-UHFFFAOYSA-N
XLogP-0.35
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 23667639
Aceglatone
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(3S,3aR,6R,6aR)-6-(acetyloxy)-2,5-dioxo-hexahydrofuro[3,2-b]furan-3-yl acetate
CID 688576
(5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione
CID 54523248
2,3:5,6-Di-O-isopropylidene-L-gulonolactone
CID 568288
(6-Acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl) acetate
CID 1980
Zegnzpmitnpdhg-qridjokksa-
CID 11087450
Galactopyranuronic acid, 1,2:3,4-di-O-isopropylidene-, methyl ester, alpha-D-
CID 540895
(1R,2S,6S,9R,10R)-4,4,9,12,12-pentamethyl-3,5,8,11,13-pentaoxatricyclo[8.3.0.02,6]tridecan-7-one
CID 11161599
(3aR,6S,6aR)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 135016864
2,3:5,6-Di-O-isopropylidene-D-mannono-1,4-lactone
CID 9943092
1,2,3,4-DI-O-Isopropylidene-alpha-D-galacturonic acid methyl ester
CID 10085493

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methoxyoxolane-2,4-dione?
The IUPAC name of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methoxyoxolane-2,4-dione (CID 123783300) is 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methoxyoxolane-2,4-dione.
What is the SMILES notation for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methoxyoxolane-2,4-dione?
The canonical SMILES for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methoxyoxolane-2,4-dione is COC1C(=O)OC(C2COC(C)(C)O2)C1=O.
What is the InChIKey of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methoxyoxolane-2,4-dione?
The InChIKey is VZWZFRGHYDOHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-10(2)14-4-5(16-10)7-6(11)8(13-3)9(12)15-7/h5,7-8H,4H2,1-3H3.
What are the key properties of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methoxyoxolane-2,4-dione?
5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methoxyoxolane-2,4-dione has a molecular weight of 230.22 g/mol, XLogP of -0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methoxyoxolane-2,4-dione is sourced from PubChem (CID 123783300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).