(4R,5R)-2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid

C8H10O6 — CID 54352363

IUPAC(4R,5R)-2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid
SMILESC=C(C)C1O[C@@H](C(=O)O)[C@H](C(=O)O)O1
InChIInChI=1S/C8H10O6/c1-3(2)8-13-4(6(9)10)5(14-8)7(11)12/h4-5,8H,1H2,2H3,(H,9,10)(H,11,12)/t4-,5-/m1/s1
InChIKeyUGRCEHHBYWRMGH-RFZPGFLSSA-N
MW202.16 g/mol
LogP-0.16
Rot. Bonds3

About (4R,5R)-2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid

(4R,5R)-2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid (PubChem CID 54352363) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is (4R,5R)-2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid.

Molecular Properties

Compound Name(4R,5R)-2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid
PubChem CID54352363
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Name(4R,5R)-2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid
SMILESC=C(C)C1O[C@@H](C(=O)O)[C@H](C(=O)O)O1
InChIInChI=1S/C8H10O6/c1-3(2)8-13-4(6(9)10)5(14-8)7(11)12/h4-5,8H,1H2,2H3,(H,9,10)(H,11,12)/t4-,5-/m1/s1
InChIKeyUGRCEHHBYWRMGH-RFZPGFLSSA-N
XLogP-0.16
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Propyl-1,3-dioxolane-4,5-dicarboxylic acid
CID 70427672
diethyl (4S,5S)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylate
CID 134887202
(4R,5R)-2-[(E)-prop-1-enyl]-1,3-dioxolane-4,5-dicarboxylic acid
CID 18642191
(4R,5R)-2-ethenyl-1,3-dioxolane-4,5-dicarboxylic acid
CID 18642192
2-(2-Methylprop-2-enoyloxy)butanedioic acid
CID 19737098
2-Propan-2-yl-1,3-dioxolane-4,5-dicarboxylic acid
CID 20188880
(4S,5S)-2-(6-methylhepta-1,5-dien-2-yl)-1,3-dioxolane-4,5-dicarboxylic acid
CID 20637640
(4S,5S)-2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid
CID 20637645
1-Ethoxyethyl 4-(2-methylprop-2-enoyloxy)-5-oxooxolane-3-carboxylate
CID 21863764
2-(6-Methylhepta-1,5-dien-2-yl)-1,3-dioxolane-4,5-dicarboxylic acid
CID 23286482
2-Prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid
CID 23286502
(4R,5R)-2-prop-1-enyl-1,3-dioxolane-4,5-dicarboxylic acid
CID 53969065

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid?
The IUPAC name of (4R,5R)-2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid (CID 54352363) is (4R,5R)-2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid.
What is the SMILES notation for (4R,5R)-2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid?
The canonical SMILES for (4R,5R)-2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid is C=C(C)C1O[C@@H](C(=O)O)[C@H](C(=O)O)O1.
What is the InChIKey of (4R,5R)-2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid?
The InChIKey is UGRCEHHBYWRMGH-RFZPGFLSSA-N. The full InChI is InChI=1S/C8H10O6/c1-3(2)8-13-4(6(9)10)5(14-8)7(11)12/h4-5,8H,1H2,2H3,(H,9,10)(H,11,12)/t4-,5-/m1/s1.
What are the key properties of (4R,5R)-2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid?
(4R,5R)-2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid has a molecular weight of 202.16 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-prop-1-en-2-yl-1,3-dioxolane-4,5-dicarboxylic acid is sourced from PubChem (CID 54352363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).