5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate

C12H20O6 — CID 173421757

IUPAC5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate
SMILESC=CC(=O)OCCCO.CC(=CCCO)C(=O)O
InChIInChI=1S/2C6H10O3/c1-5(6(8)9)3-2-4-7;1-2-6(8)9-5-3-4-7/h3,7H,2,4H2,1H3,(H,8,9);2,7H,1,3-5H2
InChIKeyGSERZHQRVHTXJY-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.50
Rot. Bonds7

About 5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate

5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate (PubChem CID 173421757) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate.

Molecular Properties

Compound Name5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate
PubChem CID173421757
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate
SMILESC=CC(=O)OCCCO.CC(=CCCO)C(=O)O
InChIInChI=1S/2C6H10O3/c1-5(6(8)9)3-2-4-7;1-2-6(8)9-5-3-4-7/h3,7H,2,4H2,1H3,(H,8,9);2,7H,1,3-5H2
InChIKeyGSERZHQRVHTXJY-UHFFFAOYSA-N
XLogP0.50
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate 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-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid
CID 173423992
acetyl acetate;3-hydroxypropyl prop-2-enoate
CID 146356068
butyl prop-2-enoate;2-methylpent-2-enoic acid;octadecyl prop-2-enoate
CID 175776975
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
2-(diethylamino)ethyl prop-2-enoate;5-(diethylamino)-2-methylpent-2-enoic acid
CID 175959487
(E)-but-2-enoic acid;3-hydroxypropyl prop-2-enoate
CID 158764825
6-(3-hydroxypropoxy)-2-methylhex-2-enoic acid
CID 91086450
3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 59641461
3-(3-hydroxypropoxy)propyl prop-2-enoate
CID 54397362
3-hydroxypropyl prop-2-enoate;prop-1-en-2-ylphosphonic acid
CID 86739384
10-hydroxydecyl prop-2-enoate
CID 14715958
19-hydroxynonadecyl prop-2-enoate
CID 20625688

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate?
The IUPAC name of 5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate (CID 173421757) is 5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate.
What is the SMILES notation for 5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate?
The canonical SMILES for 5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate is C=CC(=O)OCCCO.CC(=CCCO)C(=O)O.
What is the InChIKey of 5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate?
The InChIKey is GSERZHQRVHTXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10O3/c1-5(6(8)9)3-2-4-7;1-2-6(8)9-5-3-4-7/h3,7H,2,4H2,1H3,(H,8,9);2,7H,1,3-5H2.
What are the key properties of 5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate?
5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate has a molecular weight of 260.29 g/mol, XLogP of 0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate is sourced from PubChem (CID 173421757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).