2-hydroxy-6-prop-2-enoyloxyhex-2-enoic acid

C9H12O5 — CID 173162722

IUPAC2-hydroxy-6-prop-2-enoyloxyhex-2-enoic acid
SMILESC=CC(=O)OCCCC=C(O)C(=O)O
InChIInChI=1S/C9H12O5/c1-2-8(11)14-6-4-3-5-7(10)9(12)13/h2,5,10H,1,3-4,6H2,(H,12,13)
InChIKeyAWPWUGUDGBFAHQ-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.02
Rot. Bonds6

About 2-hydroxy-6-prop-2-enoyloxyhex-2-enoic acid

2-hydroxy-6-prop-2-enoyloxyhex-2-enoic acid (PubChem CID 173162722) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-hydroxy-6-prop-2-enoyloxyhex-2-enoic acid.

Molecular Properties

Compound Name2-hydroxy-6-prop-2-enoyloxyhex-2-enoic acid
PubChem CID173162722
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name2-hydroxy-6-prop-2-enoyloxyhex-2-enoic acid
SMILESC=CC(=O)OCCCC=C(O)C(=O)O
InChIInChI=1S/C9H12O5/c1-2-8(11)14-6-4-3-5-7(10)9(12)13/h2,5,10H,1,3-4,6H2,(H,12,13)
InChIKeyAWPWUGUDGBFAHQ-UHFFFAOYSA-N
XLogP1.02
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
[(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate
CID 101145209
4-oxo-4-(4-prop-2-enoyloxybutoxy)but-2-enoic acid
CID 73413412
4-iminobutyl prop-2-enoate
CID 57122491
5-hydroxy-2-methylpent-2-enoic acid;3-hydroxypropyl prop-2-enoate
CID 173421757
butyl prop-2-enoate;ethyl prop-2-enoate;2-hydroxyprop-2-enoic acid
CID 87530840
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3-carbamoyloxypropyl prop-2-enoate
CID 58831010
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
3-phosphanylpropyl prop-2-enoate
CID 151934369

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-prop-2-enoyloxyhex-2-enoic acid?
The IUPAC name of 2-hydroxy-6-prop-2-enoyloxyhex-2-enoic acid (CID 173162722) is 2-hydroxy-6-prop-2-enoyloxyhex-2-enoic acid.
What is the SMILES notation for 2-hydroxy-6-prop-2-enoyloxyhex-2-enoic acid?
The canonical SMILES for 2-hydroxy-6-prop-2-enoyloxyhex-2-enoic acid is C=CC(=O)OCCCC=C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-6-prop-2-enoyloxyhex-2-enoic acid?
The InChIKey is AWPWUGUDGBFAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-2-8(11)14-6-4-3-5-7(10)9(12)13/h2,5,10H,1,3-4,6H2,(H,12,13).
What are the key properties of 2-hydroxy-6-prop-2-enoyloxyhex-2-enoic acid?
2-hydroxy-6-prop-2-enoyloxyhex-2-enoic acid has a molecular weight of 200.19 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-prop-2-enoyloxyhex-2-enoic acid is sourced from PubChem (CID 173162722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).