2-hydroxy-2-(4-methylpent-3-enyl)butanedioic acid

C10H16O5 — CID 18515721

IUPAC2-hydroxy-2-(4-methylpent-3-enyl)butanedioic acid
SMILESCC(C)=CCCC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C10H16O5/c1-7(2)4-3-5-10(15,9(13)14)6-8(11)12/h4,15H,3,5-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyDRFNZQPZTGLTJC-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.02
Rot. Bonds6

About 2-hydroxy-2-(4-methylpent-3-enyl)butanedioic acid

2-hydroxy-2-(4-methylpent-3-enyl)butanedioic acid (PubChem CID 18515721) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-hydroxy-2-(4-methylpent-3-enyl)butanedioic acid.

Molecular Properties

Compound Name2-hydroxy-2-(4-methylpent-3-enyl)butanedioic acid
PubChem CID18515721
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2-hydroxy-2-(4-methylpent-3-enyl)butanedioic acid
SMILESCC(C)=CCCC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C10H16O5/c1-7(2)4-3-5-10(15,9(13)14)6-8(11)12/h4,15H,3,5-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyDRFNZQPZTGLTJC-UHFFFAOYSA-N
XLogP1.02
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxypropane-1,2,3-tricarboxylic acid;molybdenum
CID 56836802
acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;λ2-plumbane
CID 173011758
2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 87382706
ethanethioic S-acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 174953632
acetic acid;azane;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride
CID 173355303
dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 175537707
bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 158369615
2-hydroxy-2-(hydroxymethyl)-5,9-dimethyldeca-4,8-dienoic acid
CID 173203965
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493
CID 173004565
CID 173004565
CID 24997986
CID 24997986

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-methylpent-3-enyl)butanedioic acid?
The IUPAC name of 2-hydroxy-2-(4-methylpent-3-enyl)butanedioic acid (CID 18515721) is 2-hydroxy-2-(4-methylpent-3-enyl)butanedioic acid.
What is the SMILES notation for 2-hydroxy-2-(4-methylpent-3-enyl)butanedioic acid?
The canonical SMILES for 2-hydroxy-2-(4-methylpent-3-enyl)butanedioic acid is CC(C)=CCCC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-(4-methylpent-3-enyl)butanedioic acid?
The InChIKey is DRFNZQPZTGLTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-7(2)4-3-5-10(15,9(13)14)6-8(11)12/h4,15H,3,5-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-hydroxy-2-(4-methylpent-3-enyl)butanedioic acid?
2-hydroxy-2-(4-methylpent-3-enyl)butanedioic acid has a molecular weight of 216.23 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-methylpent-3-enyl)butanedioic acid is sourced from PubChem (CID 18515721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).