(5S)-5-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione

C10H14O6 — CID 57103772

IUPAC(5S)-5-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione
SMILESCCC1(C)OC[C@@H]([C@H]2OC(=O)C(=O)C2O)O1
InChIInChI=1S/C10H14O6/c1-3-10(2)14-4-5(16-10)8-6(11)7(12)9(13)15-8/h5-6,8,11H,3-4H2,1-2H3/t5-,6?,8+,10?/m0/s1
InChIKeyDFGJGLIVXUZCAW-OWORPVFJSA-N
MW230.22 g/mol
LogP-0.62
Rot. Bonds2

About (5S)-5-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione

(5S)-5-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione (PubChem CID 57103772) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is (5S)-5-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione.

Molecular Properties

Compound Name(5S)-5-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione
PubChem CID57103772
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name(5S)-5-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione
SMILESCCC1(C)OC[C@@H]([C@H]2OC(=O)C(=O)C2O)O1
InChIInChI=1S/C10H14O6/c1-3-10(2)14-4-5(16-10)8-6(11)7(12)9(13)15-8/h5-6,8,11H,3-4H2,1-2H3/t5-,6?,8+,10?/m0/s1
InChIKeyDFGJGLIVXUZCAW-OWORPVFJSA-N
XLogP-0.62
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze (5S)-5-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione with MolForge

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Related Compounds

2-ethyl-4-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane
CID 77335045
5-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)oxolane-2,3-diol
CID 123450262
(5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxyoxolan-2-one
CID 59875119
(3R,5S)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxyoxolan-2-one
CID 71146583
(4S,5S)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3,4-dihydroxyoxolan-2-one
CID 45039607
7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 537482
(4aR,7R,7aR)-7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 53362287
(3aR,4R,7R,7aR)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one
CID 14466796
(6S,6aS)-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 90733947
(3aS,6R,6aR)-6-[(4S)-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 7107167
(3S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyoxolane-2,4-dione
CID 51575377
2,4-diethyl-2-methyl-1,3-dioxolane
CID 59435311

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione?
The IUPAC name of (5S)-5-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione (CID 57103772) is (5S)-5-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione.
What is the SMILES notation for (5S)-5-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione?
The canonical SMILES for (5S)-5-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione is CCC1(C)OC[C@@H]([C@H]2OC(=O)C(=O)C2O)O1.
What is the InChIKey of (5S)-5-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione?
The InChIKey is DFGJGLIVXUZCAW-OWORPVFJSA-N. The full InChI is InChI=1S/C10H14O6/c1-3-10(2)14-4-5(16-10)8-6(11)7(12)9(13)15-8/h5-6,8,11H,3-4H2,1-2H3/t5-,6?,8+,10?/m0/s1.
What are the key properties of (5S)-5-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione?
(5S)-5-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione has a molecular weight of 230.22 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4S)-2-ethyl-2-methyl-1,3-dioxolan-4-yl]-4-hydroxyoxolane-2,3-dione is sourced from PubChem (CID 57103772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).