ethanol;prop-2-enyl 2,3-dihydroxypropanoate

C8H16O5 — CID 88596690

IUPACethanol;prop-2-enyl 2,3-dihydroxypropanoate
SMILESC=CCOC(=O)C(O)CO.CCO
InChIInChI=1S/C6H10O4.C2H6O/c1-2-3-10-6(9)5(8)4-7;1-2-3/h2,5,7-8H,1,3-4H2;3H,2H2,1H3
InChIKeyRCAGFPVJNVZGMN-UHFFFAOYSA-N
MW192.21 g/mol
LogP-0.93
Rot. Bonds4

About ethanol;prop-2-enyl 2,3-dihydroxypropanoate

ethanol;prop-2-enyl 2,3-dihydroxypropanoate (PubChem CID 88596690) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is ethanol;prop-2-enyl 2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameethanol;prop-2-enyl 2,3-dihydroxypropanoate
PubChem CID88596690
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Nameethanol;prop-2-enyl 2,3-dihydroxypropanoate
SMILESC=CCOC(=O)C(O)CO.CCO
InChIInChI=1S/C6H10O4.C2H6O/c1-2-3-10-6(9)5(8)4-7;1-2-3/h2,5,7-8H,1,3-4H2;3H,2H2,1H3
InChIKeyRCAGFPVJNVZGMN-UHFFFAOYSA-N
XLogP-0.93
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanol;prop-2-enyl 2,3-dihydroxypropanoate?
The IUPAC name of ethanol;prop-2-enyl 2,3-dihydroxypropanoate (CID 88596690) is ethanol;prop-2-enyl 2,3-dihydroxypropanoate.
What is the SMILES notation for ethanol;prop-2-enyl 2,3-dihydroxypropanoate?
The canonical SMILES for ethanol;prop-2-enyl 2,3-dihydroxypropanoate is C=CCOC(=O)C(O)CO.CCO.
What is the InChIKey of ethanol;prop-2-enyl 2,3-dihydroxypropanoate?
The InChIKey is RCAGFPVJNVZGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.C2H6O/c1-2-3-10-6(9)5(8)4-7;1-2-3/h2,5,7-8H,1,3-4H2;3H,2H2,1H3.
What are the key properties of ethanol;prop-2-enyl 2,3-dihydroxypropanoate?
ethanol;prop-2-enyl 2,3-dihydroxypropanoate has a molecular weight of 192.21 g/mol, XLogP of -0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;prop-2-enyl 2,3-dihydroxypropanoate is sourced from PubChem (CID 88596690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).