4-(4-hydroxy-2-methylidenebutanoyl)oxy-2-methylidenebutanoic acid

C10H14O5 — CID 57167665

IUPAC4-(4-hydroxy-2-methylidenebutanoyl)oxy-2-methylidenebutanoic acid
SMILESC=C(CCOC(=O)C(=C)CCO)C(=O)O
InChIInChI=1S/C10H14O5/c1-7(9(12)13)4-6-15-10(14)8(2)3-5-11/h11H,1-6H2,(H,12,13)
InChIKeyROMXOCSUSXRONW-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.50
Rot. Bonds7

About 4-(4-hydroxy-2-methylidenebutanoyl)oxy-2-methylidenebutanoic acid

4-(4-hydroxy-2-methylidenebutanoyl)oxy-2-methylidenebutanoic acid (PubChem CID 57167665) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(4-hydroxy-2-methylidenebutanoyl)oxy-2-methylidenebutanoic acid.

Molecular Properties

Compound Name4-(4-hydroxy-2-methylidenebutanoyl)oxy-2-methylidenebutanoic acid
PubChem CID57167665
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name4-(4-hydroxy-2-methylidenebutanoyl)oxy-2-methylidenebutanoic acid
SMILESC=C(CCOC(=O)C(=C)CCO)C(=O)O
InChIInChI=1S/C10H14O5/c1-7(9(12)13)4-6-15-10(14)8(2)3-5-11/h11H,1-6H2,(H,12,13)
InChIKeyROMXOCSUSXRONW-UHFFFAOYSA-N
XLogP0.50
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(5-hydroxy-2-methylidenepentanoyl)oxy-2-methylidenehexanoic acid
CID 57278988
hydroxymethyl 4-hydroxy-2-methylidenebutanoate
CID 22358531
dodecyl 4-hydroxy-2-methylidenebutanoate
CID 161475812
5-(5-ethoxy-2-methylidenepentanoyl)oxy-2-methylidenepentanoic acid
CID 91518371
4-hydroxy-2-methylidenebutanoic acid;nitric acid
CID 175526871
dodecyl 2-methylprop-2-enoate;4-hydroxy-2-methylidenebutanoic acid;methyl 2-methylprop-2-enoate
CID 88758994
2-methylpropyl 4-hydroxy-2-methylidenebutanoate
CID 175422489
4-[2-(furan-2-ylmethyl)prop-2-enoyloxy]-2-methylidenebutanoic acid
CID 70348245
[4-hydroxy-3,3-bis(hydroxymethyl)butyl] 6-hydroxy-5,5-bis(hydroxymethyl)-2-methylidenehexanoate
CID 87586892
2-methylprop-2-enoic acid;4-(3-sulfopropoxycarbonyl)pent-4-ene-1-sulfonic acid
CID 154927960
3-[2-[2-(carboxymethyl)prop-2-enoyloxy]ethoxycarbonyl]but-3-enoic acid
CID 54264281
acetyl 4-acetyloxy-2-methylidenebutanoate
CID 122553711

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-methylidenebutanoyl)oxy-2-methylidenebutanoic acid?
The IUPAC name of 4-(4-hydroxy-2-methylidenebutanoyl)oxy-2-methylidenebutanoic acid (CID 57167665) is 4-(4-hydroxy-2-methylidenebutanoyl)oxy-2-methylidenebutanoic acid.
What is the SMILES notation for 4-(4-hydroxy-2-methylidenebutanoyl)oxy-2-methylidenebutanoic acid?
The canonical SMILES for 4-(4-hydroxy-2-methylidenebutanoyl)oxy-2-methylidenebutanoic acid is C=C(CCOC(=O)C(=C)CCO)C(=O)O.
What is the InChIKey of 4-(4-hydroxy-2-methylidenebutanoyl)oxy-2-methylidenebutanoic acid?
The InChIKey is ROMXOCSUSXRONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-7(9(12)13)4-6-15-10(14)8(2)3-5-11/h11H,1-6H2,(H,12,13).
What are the key properties of 4-(4-hydroxy-2-methylidenebutanoyl)oxy-2-methylidenebutanoic acid?
4-(4-hydroxy-2-methylidenebutanoyl)oxy-2-methylidenebutanoic acid has a molecular weight of 214.22 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-methylidenebutanoyl)oxy-2-methylidenebutanoic acid is sourced from PubChem (CID 57167665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).