(Z)-hex-3-en-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid

C12H20O8 — CID 90003460

IUPAC(Z)-hex-3-en-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCC/C=C\CCO.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C6H12O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-3-4-5-6-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-4,7H,2,5-6H2,1H3/b;4-3-
InChIKeyUUSWEJUFROSUNU-QGAMPUOQSA-N
MW292.28 g/mol
LogP0.09
Rot. Bonds8

About (Z)-hex-3-en-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid

(Z)-hex-3-en-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 90003460) has the molecular formula C12H20O8 and a molecular weight of 292.28 g/mol. Its IUPAC name is (Z)-hex-3-en-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name(Z)-hex-3-en-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID90003460
Molecular FormulaC12H20O8
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name(Z)-hex-3-en-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCC/C=C\CCO.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C6H12O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-3-4-5-6-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-4,7H,2,5-6H2,1H3/b;4-3-
InChIKeyUUSWEJUFROSUNU-QGAMPUOQSA-N
XLogP0.09
TPSA152.36 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 50.09
H-Bond Donors ≤ 55
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 (Z)-hex-3-en-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of (Z)-hex-3-en-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 90003460) is (Z)-hex-3-en-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for (Z)-hex-3-en-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for (Z)-hex-3-en-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid is CC/C=C\CCO.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of (Z)-hex-3-en-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is UUSWEJUFROSUNU-QGAMPUOQSA-N. The full InChI is InChI=1S/C6H8O7.C6H12O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-3-4-5-6-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-4,7H,2,5-6H2,1H3/b;4-3-.
What are the key properties of (Z)-hex-3-en-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid?
(Z)-hex-3-en-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 292.28 g/mol, XLogP of 0.09, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hex-3-en-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 90003460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).