(Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid

C10H14O4 — CID 6440421

IUPAC(Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid
SMILESC/C=C(/C)C(=O)OC/C(=C/C)C(=O)O
InChIInChI=1S/C10H14O4/c1-4-7(3)10(13)14-6-8(5-2)9(11)12/h4-5H,6H2,1-3H3,(H,11,12)/b7-4-,8-5-
InChIKeyMQFYOYGIGPVWSJ-IUNAMMOKSA-N
MW198.22 g/mol
LogP1.53
Rot. Bonds4

About (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid

(Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid (PubChem CID 6440421) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid
PubChem CID6440421
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid
SMILESC/C=C(/C)C(=O)OC/C(=C/C)C(=O)O
InChIInChI=1S/C10H14O4/c1-4-7(3)10(13)14-6-8(5-2)9(11)12/h4-5H,6H2,1-3H3,(H,11,12)/b7-4-,8-5-
InChIKeyMQFYOYGIGPVWSJ-IUNAMMOKSA-N
XLogP1.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid?
The IUPAC name of (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid (CID 6440421) is (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid.
What is the SMILES notation for (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid?
The canonical SMILES for (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid is C/C=C(/C)C(=O)OC/C(=C/C)C(=O)O.
What is the InChIKey of (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid?
The InChIKey is MQFYOYGIGPVWSJ-IUNAMMOKSA-N. The full InChI is InChI=1S/C10H14O4/c1-4-7(3)10(13)14-6-8(5-2)9(11)12/h4-5H,6H2,1-3H3,(H,11,12)/b7-4-,8-5-.
What are the key properties of (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid?
(Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid has a molecular weight of 198.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid is sourced from PubChem (CID 6440421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).