ethyl 2-methylidene-4,5-bis(2-methylprop-2-enoyloxy)pentanoate

C16H22O6 — CID 67882893

IUPACethyl 2-methylidene-4,5-bis(2-methylprop-2-enoyloxy)pentanoate
SMILESC=C(C)C(=O)OCC(CC(=C)C(=O)OCC)OC(=O)C(=C)C
InChIInChI=1S/C16H22O6/c1-7-20-16(19)12(6)8-13(22-15(18)11(4)5)9-21-14(17)10(2)3/h13H,2,4,6-9H2,1,3,5H3
InChIKeyNEBAAYUKQRCBGM-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.10
Rot. Bonds9

About ethyl 2-methylidene-4,5-bis(2-methylprop-2-enoyloxy)pentanoate

ethyl 2-methylidene-4,5-bis(2-methylprop-2-enoyloxy)pentanoate (PubChem CID 67882893) has the molecular formula C16H22O6 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl 2-methylidene-4,5-bis(2-methylprop-2-enoyloxy)pentanoate.

Molecular Properties

Compound Nameethyl 2-methylidene-4,5-bis(2-methylprop-2-enoyloxy)pentanoate
PubChem CID67882893
Molecular FormulaC16H22O6
Molecular Weight310.35 g/mol
Exact Mass310.14
IUPAC Nameethyl 2-methylidene-4,5-bis(2-methylprop-2-enoyloxy)pentanoate
SMILESC=C(C)C(=O)OCC(CC(=C)C(=O)OCC)OC(=O)C(=C)C
InChIInChI=1S/C16H22O6/c1-7-20-16(19)12(6)8-13(22-15(18)11(4)5)9-21-14(17)10(2)3/h13H,2,4,6-9H2,1,3,5H3
InChIKeyNEBAAYUKQRCBGM-UHFFFAOYSA-N
XLogP2.10
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methylprop-2-enoate
CID 130475774
ethane-1,2-diol;[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 22129264
butane-1,4-diol;2-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 122641854
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;methane
CID 159235789
2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
CID 87149420
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid
CID 102099810
2-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonyl]prop-2-enoic acid
CID 54328343
2,3-diacetyloxypropyl 2-methylprop-2-enoate
CID 18979747

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylidene-4,5-bis(2-methylprop-2-enoyloxy)pentanoate?
The IUPAC name of ethyl 2-methylidene-4,5-bis(2-methylprop-2-enoyloxy)pentanoate (CID 67882893) is ethyl 2-methylidene-4,5-bis(2-methylprop-2-enoyloxy)pentanoate.
What is the SMILES notation for ethyl 2-methylidene-4,5-bis(2-methylprop-2-enoyloxy)pentanoate?
The canonical SMILES for ethyl 2-methylidene-4,5-bis(2-methylprop-2-enoyloxy)pentanoate is C=C(C)C(=O)OCC(CC(=C)C(=O)OCC)OC(=O)C(=C)C.
What is the InChIKey of ethyl 2-methylidene-4,5-bis(2-methylprop-2-enoyloxy)pentanoate?
The InChIKey is NEBAAYUKQRCBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O6/c1-7-20-16(19)12(6)8-13(22-15(18)11(4)5)9-21-14(17)10(2)3/h13H,2,4,6-9H2,1,3,5H3.
What are the key properties of ethyl 2-methylidene-4,5-bis(2-methylprop-2-enoyloxy)pentanoate?
ethyl 2-methylidene-4,5-bis(2-methylprop-2-enoyloxy)pentanoate has a molecular weight of 310.35 g/mol, XLogP of 2.10, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylidene-4,5-bis(2-methylprop-2-enoyloxy)pentanoate is sourced from PubChem (CID 67882893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).