(E,5R)-5-hydroxy-2-methylhex-2-enoic acid

C7H12O3 — CID 55302737

IUPAC(E,5R)-5-hydroxy-2-methylhex-2-enoic acid
SMILESC/C(=C\C[C@@H](C)O)C(=O)O
InChIInChI=1S/C7H12O3/c1-5(7(9)10)3-4-6(2)8/h3,6,8H,4H2,1-2H3,(H,9,10)/b5-3+/t6-/m1/s1
InChIKeyULLLJOGNYWAUJL-MXTDHUQFSA-N
MW144.17 g/mol
LogP0.79
Rot. Bonds3

About (E,5R)-5-hydroxy-2-methylhex-2-enoic acid

(E,5R)-5-hydroxy-2-methylhex-2-enoic acid (PubChem CID 55302737) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (E,5R)-5-hydroxy-2-methylhex-2-enoic acid.

Molecular Properties

Compound Name(E,5R)-5-hydroxy-2-methylhex-2-enoic acid
PubChem CID55302737
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(E,5R)-5-hydroxy-2-methylhex-2-enoic acid
SMILESC/C(=C\C[C@@H](C)O)C(=O)O
InChIInChI=1S/C7H12O3/c1-5(7(9)10)3-4-6(2)8/h3,6,8H,4H2,1-2H3,(H,9,10)/b5-3+/t6-/m1/s1
InChIKeyULLLJOGNYWAUJL-MXTDHUQFSA-N
XLogP0.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,5R)-5-hydroxy-2-methylhex-2-enoic acid 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

5-hydroxy-2-methylhex-2-enoic acid;prop-2-enoic acid
CID 157146247
4-(3-hydroxybutylidene)-2-methylpent-2-enedioic acid
CID 57152148
5-chloro-5-hydroxy-2-methylpent-2-enoic acid
CID 57143076
7-hydroxy-2-methylocta-2,4-dienoic acid
CID 154067734
5-hydroxy-2-methyloct-2-enoic acid
CID 56988167
(Z)-hex-2-ene-2,5-diol
CID 12871463
3-(2-carboxyethenoxy)prop-2-enoic acid;diphenylmethanone;5-hydroxy-2-methylhex-2-enoic acid
CID 70480131
(E)-6,6,6-trifluoro-2-methyl-5-(trifluoromethyl)hex-2-enoic acid
CID 87645960
8-hydroxy-2-methylnon-2-enoic acid
CID 57087697
(E)-5-hydroxy-6-methoxy-2-methylhex-2-enoic acid
CID 87432109
azane;2-methyl-5-sulfohex-2-enoic acid
CID 173156028
4-fluoro-2-methylbut-2-enoic acid
CID 57003998

Frequently Asked Questions

What is the IUPAC name of (E,5R)-5-hydroxy-2-methylhex-2-enoic acid?
The IUPAC name of (E,5R)-5-hydroxy-2-methylhex-2-enoic acid (CID 55302737) is (E,5R)-5-hydroxy-2-methylhex-2-enoic acid.
What is the SMILES notation for (E,5R)-5-hydroxy-2-methylhex-2-enoic acid?
The canonical SMILES for (E,5R)-5-hydroxy-2-methylhex-2-enoic acid is C/C(=C\C[C@@H](C)O)C(=O)O.
What is the InChIKey of (E,5R)-5-hydroxy-2-methylhex-2-enoic acid?
The InChIKey is ULLLJOGNYWAUJL-MXTDHUQFSA-N. The full InChI is InChI=1S/C7H12O3/c1-5(7(9)10)3-4-6(2)8/h3,6,8H,4H2,1-2H3,(H,9,10)/b5-3+/t6-/m1/s1.
What are the key properties of (E,5R)-5-hydroxy-2-methylhex-2-enoic acid?
(E,5R)-5-hydroxy-2-methylhex-2-enoic acid has a molecular weight of 144.17 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-5-hydroxy-2-methylhex-2-enoic acid is sourced from PubChem (CID 55302737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).