ethyl (E)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoate

C15H29O4P — CID 15735563

IUPACethyl (E)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoate
SMILESCCOC(=O)/C(=C\C(C)C)CP(=O)(CC(C)C)OCC
InChIInChI=1S/C15H29O4P/c1-7-18-15(16)14(9-12(3)4)11-20(17,19-8-2)10-13(5)6/h9,12-13H,7-8,10-11H2,1-6H3/b14-9-
InChIKeyGQGIGSZCHVCWBS-ZROIWOOFSA-N
MW304.37 g/mol
LogP4.10
Rot. Bonds9

About ethyl (E)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoate

ethyl (E)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoate (PubChem CID 15735563) has the molecular formula C15H29O4P and a molecular weight of 304.37 g/mol. Its IUPAC name is ethyl (E)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoate
PubChem CID15735563
Molecular FormulaC15H29O4P
Molecular Weight304.37 g/mol
Exact Mass304.18
IUPAC Nameethyl (E)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoate
SMILESCCOC(=O)/C(=C\C(C)C)CP(=O)(CC(C)C)OCC
InChIInChI=1S/C15H29O4P/c1-7-18-15(16)14(9-12(3)4)11-20(17,19-8-2)10-13(5)6/h9,12-13H,7-8,10-11H2,1-6H3/b14-9-
InChIKeyGQGIGSZCHVCWBS-ZROIWOOFSA-N
XLogP4.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(Diethoxyphosphinyl)-2-methyl-2-butenoic acid ethyl ester
CID 11021740
Ethyl 4-(diethoxyphosphinyl)-2-methyl-2-butenoate
CID 54356988
Ethyl 4-(diethoxyphosphoryl)-3-methylbut-2-enoate
CID 6000084
(3E)-3-(2-diethoxyphosphorylethylidene)oxolan-2-one
CID 102079565
(3Z)-3-(2-diethoxyphosphorylethylidene)oxolan-2-one
CID 134995432
Ethyl 4-(diethoxyphosphoryl)-3-methylcrotonate
CID 2773818
ethyl (E)-4-diethoxyphosphoryl-3-methylpent-2-enoate
CID 21437502
methyl (E)-4-diethoxyphosphoryl-2-ethylbut-2-enoate
CID 101778522
ethyl (E)-2-diethoxyphosphoryl-4-methylpent-2-enoate
CID 10880410
methyl (E)-4-diethoxyphosphoryl-2-methylbut-2-enoate
CID 10977860
methyl (2E,4E,6E)-8-diethoxyphosphoryl-4,6-dimethylocta-2,4,6-trienoate
CID 11438469
ethyl (2E,4E,6E)-8-diethoxyphosphoryl-4,6-dimethylocta-2,4,6-trienoate
CID 11738996

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoate?
The IUPAC name of ethyl (E)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoate (CID 15735563) is ethyl (E)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoate.
What is the SMILES notation for ethyl (E)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoate?
The canonical SMILES for ethyl (E)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoate is CCOC(=O)/C(=C\C(C)C)CP(=O)(CC(C)C)OCC.
What is the InChIKey of ethyl (E)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoate?
The InChIKey is GQGIGSZCHVCWBS-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H29O4P/c1-7-18-15(16)14(9-12(3)4)11-20(17,19-8-2)10-13(5)6/h9,12-13H,7-8,10-11H2,1-6H3/b14-9-.
What are the key properties of ethyl (E)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoate?
ethyl (E)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoate has a molecular weight of 304.37 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-[[ethoxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoate is sourced from PubChem (CID 15735563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).