2,3-dihydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;ethoxyethane;bis(prop-1-ene)

C16H32O8 — CID 173084491

IUPAC2,3-dihydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;ethoxyethane;bis(prop-1-ene)
SMILESC=CC.C=CC.CCOCC.O=C(O)C(O)C(O)C(=O)OCCO
InChIInChI=1S/C6H10O7.C4H10O.2C3H6/c7-1-2-13-6(12)4(9)3(8)5(10)11;1-3-5-4-2;2*1-3-2/h3-4,7-9H,1-2H2,(H,10,11);3-4H2,1-2H3;2*3H,1H2,2H3
InChIKeyACIQANFHFAEJET-UHFFFAOYSA-N
MW352.42 g/mol
LogP0.76
Rot. Bonds7

About 2,3-dihydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;ethoxyethane;bis(prop-1-ene)

2,3-dihydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;ethoxyethane;bis(prop-1-ene) (PubChem CID 173084491) has the molecular formula C16H32O8 and a molecular weight of 352.42 g/mol. Its IUPAC name is 2,3-dihydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;ethoxyethane;bis(prop-1-ene).

Molecular Properties

Compound Name2,3-dihydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;ethoxyethane;bis(prop-1-ene)
PubChem CID173084491
Molecular FormulaC16H32O8
Molecular Weight352.42 g/mol
Exact Mass352.21
IUPAC Name2,3-dihydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;ethoxyethane;bis(prop-1-ene)
SMILESC=CC.C=CC.CCOCC.O=C(O)C(O)C(O)C(=O)OCCO
InChIInChI=1S/C6H10O7.C4H10O.2C3H6/c7-1-2-13-6(12)4(9)3(8)5(10)11;1-3-5-4-2;2*1-3-2/h3-4,7-9H,1-2H2,(H,10,11);3-4H2,1-2H3;2*3H,1H2,2H3
InChIKeyACIQANFHFAEJET-UHFFFAOYSA-N
XLogP0.76
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxybutanedioic acid;prop-1-ene
CID 172844787
ethoxyethane;2-hydroxyethyl prop-2-enoate
CID 87338158
acetic acid;ethoxyethane;prop-1-ene
CID 87985609
ethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene
CID 172999503
bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)
CID 173332144
ethane-1,2-diol;ethoxyethane;prop-1-ene
CID 87195266
ethoxyethane;2-methoxyethanol;bis(prop-1-ene)
CID 173293108
2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol
CID 87459170
ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enamide
CID 135223188
2-(3-carboxy-2,3-dihydroxypropanoyl)oxyethyl-trimethylazanium;2-hydroxyethyl(trimethyl)azanium
CID 118341268
ethoxyethane;2-hydroxyethyl propanoate
CID 87293402
bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate
CID 175191375

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;ethoxyethane;bis(prop-1-ene)?
The IUPAC name of 2,3-dihydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;ethoxyethane;bis(prop-1-ene) (CID 173084491) is 2,3-dihydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;ethoxyethane;bis(prop-1-ene).
What is the SMILES notation for 2,3-dihydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;ethoxyethane;bis(prop-1-ene)?
The canonical SMILES for 2,3-dihydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;ethoxyethane;bis(prop-1-ene) is C=CC.C=CC.CCOCC.O=C(O)C(O)C(O)C(=O)OCCO.
What is the InChIKey of 2,3-dihydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;ethoxyethane;bis(prop-1-ene)?
The InChIKey is ACIQANFHFAEJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O7.C4H10O.2C3H6/c7-1-2-13-6(12)4(9)3(8)5(10)11;1-3-5-4-2;2*1-3-2/h3-4,7-9H,1-2H2,(H,10,11);3-4H2,1-2H3;2*3H,1H2,2H3.
What are the key properties of 2,3-dihydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;ethoxyethane;bis(prop-1-ene)?
2,3-dihydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;ethoxyethane;bis(prop-1-ene) has a molecular weight of 352.42 g/mol, XLogP of 0.76, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;ethoxyethane;bis(prop-1-ene) is sourced from PubChem (CID 173084491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).