(Z)-2,3-bis(2-hydroxypropyl)but-2-enedioate

C10H14O6-2 — CID 22903088

IUPAC(Z)-2,3-bis(2-hydroxypropyl)but-2-enedioate
SMILESCC(O)C/C(C(=O)[O-])=C(\CC(C)O)C(=O)[O-]
InChIInChI=1S/C10H16O6/c1-5(11)3-7(9(13)14)8(10(15)16)4-6(2)12/h5-6,11-12H,3-4H2,1-2H3,(H,13,14)(H,15,16)/p-2/b8-7-
InChIKeyICWIMKJKBPFFBY-FPLPWBNLSA-L
MW230.22 g/mol
LogP-2.68
Rot. Bonds6

About (Z)-2,3-bis(2-hydroxypropyl)but-2-enedioate

(Z)-2,3-bis(2-hydroxypropyl)but-2-enedioate (PubChem CID 22903088) has the molecular formula C10H14O6-2 and a molecular weight of 230.22 g/mol. Its IUPAC name is (Z)-2,3-bis(2-hydroxypropyl)but-2-enedioate.

Molecular Properties

Compound Name(Z)-2,3-bis(2-hydroxypropyl)but-2-enedioate
PubChem CID22903088
Molecular FormulaC10H14O6-2
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name(Z)-2,3-bis(2-hydroxypropyl)but-2-enedioate
SMILESCC(O)C/C(C(=O)[O-])=C(\CC(C)O)C(=O)[O-]
InChIInChI=1S/C10H16O6/c1-5(11)3-7(9(13)14)8(10(15)16)4-6(2)12/h5-6,11-12H,3-4H2,1-2H3,(H,13,14)(H,15,16)/p-2/b8-7-
InChIKeyICWIMKJKBPFFBY-FPLPWBNLSA-L
XLogP-2.68
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-2.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2,3-bis(2-hydroxypropyl)but-2-enedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 4-hydroxy-2-oxopentanoate
CID 169441902
potassium (3R)-3-hydroxybutanoate
CID 23704427
disodium bis(3-hydroxybutanoate)
CID 140970617
potassium 3-hydroxy-N-oxidobutanamide
CID 130127613
2-ethyl-3-(2-hydroxypropyl)but-2-enedioic acid
CID 54536514
potassium 2-hydroxypropanoate
CID 23671663
2-hydroxypropylazanium acetate
CID 22134549
CID 90459779
CID 90459779
5-hydroxy-2-methylhexan-3-one
CID 536853
potassium;2-hydroxypropanoate;zirconium
CID 87220091
potassium;zinc;tris(2-hydroxypropanoate)
CID 86746346
dipotassium;dizinc;hexakis(2-hydroxypropanoate)
CID 160618147

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(2-hydroxypropyl)but-2-enedioate?
The IUPAC name of (Z)-2,3-bis(2-hydroxypropyl)but-2-enedioate (CID 22903088) is (Z)-2,3-bis(2-hydroxypropyl)but-2-enedioate.
What is the SMILES notation for (Z)-2,3-bis(2-hydroxypropyl)but-2-enedioate?
The canonical SMILES for (Z)-2,3-bis(2-hydroxypropyl)but-2-enedioate is CC(O)C/C(C(=O)[O-])=C(\CC(C)O)C(=O)[O-].
What is the InChIKey of (Z)-2,3-bis(2-hydroxypropyl)but-2-enedioate?
The InChIKey is ICWIMKJKBPFFBY-FPLPWBNLSA-L. The full InChI is InChI=1S/C10H16O6/c1-5(11)3-7(9(13)14)8(10(15)16)4-6(2)12/h5-6,11-12H,3-4H2,1-2H3,(H,13,14)(H,15,16)/p-2/b8-7-.
What are the key properties of (Z)-2,3-bis(2-hydroxypropyl)but-2-enedioate?
(Z)-2,3-bis(2-hydroxypropyl)but-2-enedioate has a molecular weight of 230.22 g/mol, XLogP of -2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(2-hydroxypropyl)but-2-enedioate is sourced from PubChem (CID 22903088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).