3-hydroxy-2,4-dimethylpent-4-enoic acid

C7H12O3 — CID 13152656

IUPAC3-hydroxy-2,4-dimethylpent-4-enoic acid
SMILESC=C(C)C(O)C(C)C(=O)O
InChIInChI=1S/C7H12O3/c1-4(2)6(8)5(3)7(9)10/h5-6,8H,1H2,2-3H3,(H,9,10)
InChIKeyUPOGRPPNKCXUTJ-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.64
Rot. Bonds3

About 3-hydroxy-2,4-dimethylpent-4-enoic acid

3-hydroxy-2,4-dimethylpent-4-enoic acid (PubChem CID 13152656) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-hydroxy-2,4-dimethylpent-4-enoic acid.

Molecular Properties

Compound Name3-hydroxy-2,4-dimethylpent-4-enoic acid
PubChem CID13152656
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name3-hydroxy-2,4-dimethylpent-4-enoic acid
SMILESC=C(C)C(O)C(C)C(=O)O
InChIInChI=1S/C7H12O3/c1-4(2)6(8)5(3)7(9)10/h5-6,8H,1H2,2-3H3,(H,9,10)
InChIKeyUPOGRPPNKCXUTJ-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-hydroxy-2,3-dimethylpentanoic acid
CID 146599798
2,3-dihydroxybutanedioic acid;bis(prop-1-en-2-olate)
CID 86603507
2,3-dimethyl-4-oxopentanoic acid
CID 15560603
(2S,3S)-7-bromo-5-(2-bromoethyl)-2-methyl-3-prop-1-en-2-ylheptanoic acid
CID 102013277
methyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate
CID 134904639
3,4,5-trimethylhex-5-en-2-one
CID 123545933
2-hydroxypropanoic acid
CID 87075455
(2S,4S,5R)-2-(dibenzylamino)-5-hydroxy-4,6-dimethylhept-6-en-3-one
CID 11348713
acetic acid;3-methylbut-1-en-2-ol
CID 71446576
(2S)-2-amino-3-methylbut-3-enoic acid
CID 11332562
4-cyclopropyl-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414579
ethyl 2-ethyl-3-hydroxy-4-methylpent-4-enoate
CID 66038588

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,4-dimethylpent-4-enoic acid?
The IUPAC name of 3-hydroxy-2,4-dimethylpent-4-enoic acid (CID 13152656) is 3-hydroxy-2,4-dimethylpent-4-enoic acid.
What is the SMILES notation for 3-hydroxy-2,4-dimethylpent-4-enoic acid?
The canonical SMILES for 3-hydroxy-2,4-dimethylpent-4-enoic acid is C=C(C)C(O)C(C)C(=O)O.
What is the InChIKey of 3-hydroxy-2,4-dimethylpent-4-enoic acid?
The InChIKey is UPOGRPPNKCXUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-4(2)6(8)5(3)7(9)10/h5-6,8H,1H2,2-3H3,(H,9,10).
What are the key properties of 3-hydroxy-2,4-dimethylpent-4-enoic acid?
3-hydroxy-2,4-dimethylpent-4-enoic acid has a molecular weight of 144.17 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,4-dimethylpent-4-enoic acid is sourced from PubChem (CID 13152656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).