2-methylidene-3,5-bis(2-methylprop-2-enoyloxy)pentanoic acid

C14H18O6 — CID 174764776

IUPAC2-methylidene-3,5-bis(2-methylprop-2-enoyloxy)pentanoic acid
SMILESC=C(C)C(=O)OCCC(OC(=O)C(=C)C)C(=C)C(=O)O
InChIInChI=1S/C14H18O6/c1-8(2)13(17)19-7-6-11(10(5)12(15)16)20-14(18)9(3)4/h11H,1,3,5-7H2,2,4H3,(H,15,16)
InChIKeyZGRAHRJWQLMMNL-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.62
Rot. Bonds8

About 2-methylidene-3,5-bis(2-methylprop-2-enoyloxy)pentanoic acid

2-methylidene-3,5-bis(2-methylprop-2-enoyloxy)pentanoic acid (PubChem CID 174764776) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-methylidene-3,5-bis(2-methylprop-2-enoyloxy)pentanoic acid.

Molecular Properties

Compound Name2-methylidene-3,5-bis(2-methylprop-2-enoyloxy)pentanoic acid
PubChem CID174764776
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name2-methylidene-3,5-bis(2-methylprop-2-enoyloxy)pentanoic acid
SMILESC=C(C)C(=O)OCCC(OC(=O)C(=C)C)C(=C)C(=O)O
InChIInChI=1S/C14H18O6/c1-8(2)13(17)19-7-6-11(10(5)12(15)16)20-14(18)9(3)4/h11H,1,3,5-7H2,2,4H3,(H,15,16)
InChIKeyZGRAHRJWQLMMNL-UHFFFAOYSA-N
XLogP1.62
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 22641153
[3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 87650049
[2-hydroxy-4-(2-methylprop-2-enoyloxy)butyl]-trimethylazanium bromide
CID 140876303
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 158009828
1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2-O-propan-2-yl oxalate
CID 166723292
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
[5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate
CID 11367867
2,3-dimethyl-6-(2-methylprop-2-enoyloxy)-4-trimethoxysilylhex-2-enoic acid
CID 175403302
[4-isocyanato-3-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 154337142
4-[2-hydroxy-4-(2-methylprop-2-enoyloxy)butoxy]-4-oxobutanoic acid
CID 87260744

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3,5-bis(2-methylprop-2-enoyloxy)pentanoic acid?
The IUPAC name of 2-methylidene-3,5-bis(2-methylprop-2-enoyloxy)pentanoic acid (CID 174764776) is 2-methylidene-3,5-bis(2-methylprop-2-enoyloxy)pentanoic acid.
What is the SMILES notation for 2-methylidene-3,5-bis(2-methylprop-2-enoyloxy)pentanoic acid?
The canonical SMILES for 2-methylidene-3,5-bis(2-methylprop-2-enoyloxy)pentanoic acid is C=C(C)C(=O)OCCC(OC(=O)C(=C)C)C(=C)C(=O)O.
What is the InChIKey of 2-methylidene-3,5-bis(2-methylprop-2-enoyloxy)pentanoic acid?
The InChIKey is ZGRAHRJWQLMMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-8(2)13(17)19-7-6-11(10(5)12(15)16)20-14(18)9(3)4/h11H,1,3,5-7H2,2,4H3,(H,15,16).
What are the key properties of 2-methylidene-3,5-bis(2-methylprop-2-enoyloxy)pentanoic acid?
2-methylidene-3,5-bis(2-methylprop-2-enoyloxy)pentanoic acid has a molecular weight of 282.29 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3,5-bis(2-methylprop-2-enoyloxy)pentanoic acid is sourced from PubChem (CID 174764776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).