2-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]ethane-1,1,1,2-tetrol;prop-2-enoic acid

C10H20O10 — CID 175271048

IUPAC2-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]ethane-1,1,1,2-tetrol;prop-2-enoic acid
SMILESC=CC(=O)O.OCC(CO)(CO)COC(O)C(O)(O)O
InChIInChI=1S/C7H16O8.C3H4O2/c8-1-6(2-9,3-10)4-15-5(11)7(12,13)14;1-2-3(4)5/h5,8-14H,1-4H2;2H,1H2,(H,4,5)
InChIKeyFQWVHLQCWCBMEO-UHFFFAOYSA-N
MW300.26 g/mol
LogP-3.83
Rot. Bonds8

About 2-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]ethane-1,1,1,2-tetrol;prop-2-enoic acid

2-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]ethane-1,1,1,2-tetrol;prop-2-enoic acid (PubChem CID 175271048) has the molecular formula C10H20O10 and a molecular weight of 300.26 g/mol. Its IUPAC name is 2-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]ethane-1,1,1,2-tetrol;prop-2-enoic acid.

Molecular Properties

Compound Name2-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]ethane-1,1,1,2-tetrol;prop-2-enoic acid
PubChem CID175271048
Molecular FormulaC10H20O10
Molecular Weight300.26 g/mol
Exact Mass300.11
IUPAC Name2-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]ethane-1,1,1,2-tetrol;prop-2-enoic acid
SMILESC=CC(=O)O.OCC(CO)(CO)COC(O)C(O)(O)O
InChIInChI=1S/C7H16O8.C3H4O2/c8-1-6(2-9,3-10)4-15-5(11)7(12,13)14;1-2-3(4)5/h5,8-14H,1-4H2;2H,1H2,(H,4,5)
InChIKeyFQWVHLQCWCBMEO-UHFFFAOYSA-N
XLogP-3.83
TPSA188.14 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.26
LogP ≤ 5-3.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;heptakis(prop-2-enoic acid)
CID 175143694
2,2-bis(hydroxymethyl)propane-1,3-diol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;hexakis(prop-2-enoic acid)
CID 175217671
2,2-bis(hydroxymethyl)propane-1,3-diol;octakis(prop-2-enoic acid)
CID 162108316
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);undecakis(prop-2-enoic acid)
CID 173334084
2-(hydroxymethyl)-2-(methoxymethyl)propane-1,3-diol;prop-2-enoic acid
CID 174613094
pentakis(2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol);phosphoric acid;pentakis(prop-2-enoic acid)
CID 172829599
hexane;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;prop-2-enoic acid
CID 88673910
2,2-bis(hydroxymethyl)propane-1,3-diol;phosphoric acid;prop-2-enoic acid
CID 175094924
2,2-bis(hydroxymethyl)propane-1,3-diol;propan-1-ol;tris(prop-2-enoic acid)
CID 172739717
[3-hydroxy-1-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]-2-[hydroxy-di(prop-2-enoyloxy)methyl]-2-(hydroxymethyl)-3,3-di(prop-2-enoyloxy)propyl] prop-2-enoate
CID 141130683
2,2-bis(hydroxymethyl)propane-1,3-diol;2-methylprop-2-enoic acid;tris(prop-2-enoic acid)
CID 159680832
acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(prop-2-enoic acid)
CID 159422742

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]ethane-1,1,1,2-tetrol;prop-2-enoic acid?
The IUPAC name of 2-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]ethane-1,1,1,2-tetrol;prop-2-enoic acid (CID 175271048) is 2-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]ethane-1,1,1,2-tetrol;prop-2-enoic acid.
What is the SMILES notation for 2-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]ethane-1,1,1,2-tetrol;prop-2-enoic acid?
The canonical SMILES for 2-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]ethane-1,1,1,2-tetrol;prop-2-enoic acid is C=CC(=O)O.OCC(CO)(CO)COC(O)C(O)(O)O.
What is the InChIKey of 2-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]ethane-1,1,1,2-tetrol;prop-2-enoic acid?
The InChIKey is FQWVHLQCWCBMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O8.C3H4O2/c8-1-6(2-9,3-10)4-15-5(11)7(12,13)14;1-2-3(4)5/h5,8-14H,1-4H2;2H,1H2,(H,4,5).
What are the key properties of 2-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]ethane-1,1,1,2-tetrol;prop-2-enoic acid?
2-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]ethane-1,1,1,2-tetrol;prop-2-enoic acid has a molecular weight of 300.26 g/mol, XLogP of -3.83, 8 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]ethane-1,1,1,2-tetrol;prop-2-enoic acid is sourced from PubChem (CID 175271048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).