2-(2-methylprop-2-enoyloxymethylidene)pentanoic acid

C10H14O4 — CID 91478998

IUPAC2-(2-methylprop-2-enoyloxymethylidene)pentanoic acid
SMILESC=C(C)C(=O)OC=C(CCC)C(=O)O
InChIInChI=1S/C10H14O4/c1-4-5-8(9(11)12)6-14-10(13)7(2)3/h6H,2,4-5H2,1,3H3,(H,11,12)
InChIKeyQWACSAUXAVOZLG-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.87
Rot. Bonds5

About 2-(2-methylprop-2-enoyloxymethylidene)pentanoic acid

2-(2-methylprop-2-enoyloxymethylidene)pentanoic acid (PubChem CID 91478998) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxymethylidene)pentanoic acid.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxymethylidene)pentanoic acid
PubChem CID91478998
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name2-(2-methylprop-2-enoyloxymethylidene)pentanoic acid
SMILESC=C(C)C(=O)OC=C(CCC)C(=O)O
InChIInChI=1S/C10H14O4/c1-4-5-8(9(11)12)6-14-10(13)7(2)3/h6H,2,4-5H2,1,3H3,(H,11,12)
InChIKeyQWACSAUXAVOZLG-UHFFFAOYSA-N
XLogP1.87
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(acetyloxymethylidene)pentanoic acid
CID 175032369
[(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate
CID 139627237
[(Z)-2-octadecoxypent-1-enyl] 2-methylprop-2-enoate
CID 141027600
octadecyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate
CID 139632797
(2E)-2-(hydroxymethylidene)pentanoic acid
CID 88655621
bis(2-methylprop-2-enoyl) 2-propylbut-2-enedioate
CID 90935294
2-methylprop-2-enoic acid;pentan-2-one
CID 159816457
2-methylprop-2-enoyl butanoate
CID 19018301
methyl 2-methyl-3-[2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoyl]oxyhept-2-enoate
CID 175496726
2-methylprop-2-enoyl butanoate;zirconium
CID 87105460
2-methylprop-2-enoic acid;octacosane
CID 158715869
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxymethylidene)pentanoic acid?
The IUPAC name of 2-(2-methylprop-2-enoyloxymethylidene)pentanoic acid (CID 91478998) is 2-(2-methylprop-2-enoyloxymethylidene)pentanoic acid.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxymethylidene)pentanoic acid?
The canonical SMILES for 2-(2-methylprop-2-enoyloxymethylidene)pentanoic acid is C=C(C)C(=O)OC=C(CCC)C(=O)O.
What is the InChIKey of 2-(2-methylprop-2-enoyloxymethylidene)pentanoic acid?
The InChIKey is QWACSAUXAVOZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-4-5-8(9(11)12)6-14-10(13)7(2)3/h6H,2,4-5H2,1,3H3,(H,11,12).
What are the key properties of 2-(2-methylprop-2-enoyloxymethylidene)pentanoic acid?
2-(2-methylprop-2-enoyloxymethylidene)pentanoic acid has a molecular weight of 198.22 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxymethylidene)pentanoic acid is sourced from PubChem (CID 91478998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).