methyl (E)-4-diethoxyphosphorylpent-2-enoate

C10H19O5P — CID 24864443

IUPACmethyl (E)-4-diethoxyphosphorylpent-2-enoate
SMILESCCOP(=O)(OCC)C(C)/C=C/C(=O)OC
InChIInChI=1S/C10H19O5P/c1-5-14-16(12,15-6-2)9(3)7-8-10(11)13-4/h7-9H,5-6H2,1-4H3/b8-7+
InChIKeyJSRWVOIZSXHBMN-BQYQJAHWSA-N
MW250.23 g/mol
LogP2.37
Rot. Bonds7

About methyl (E)-4-diethoxyphosphorylpent-2-enoate

methyl (E)-4-diethoxyphosphorylpent-2-enoate (PubChem CID 24864443) has the molecular formula C10H19O5P and a molecular weight of 250.23 g/mol. Its IUPAC name is methyl (E)-4-diethoxyphosphorylpent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-diethoxyphosphorylpent-2-enoate
PubChem CID24864443
Molecular FormulaC10H19O5P
Molecular Weight250.23 g/mol
Exact Mass250.10
IUPAC Namemethyl (E)-4-diethoxyphosphorylpent-2-enoate
SMILESCCOP(=O)(OCC)C(C)/C=C/C(=O)OC
InChIInChI=1S/C10H19O5P/c1-5-14-16(12,15-6-2)9(3)7-8-10(11)13-4/h7-9H,5-6H2,1-4H3/b8-7+
InChIKeyJSRWVOIZSXHBMN-BQYQJAHWSA-N
XLogP2.37
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

methyl (E)-4-[bis(2,2,2-trifluoroethoxy)phosphoryl]pent-2-enoate
CID 134887231
methyl (E,4S,5R)-5-hydroxy-4-methylhept-2-enoate
CID 11084337
3-diethoxyphosphorylbut-1-ene
CID 13357671
methyl (E)-4-hydroxyhept-2-enoate
CID 14434764
(1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol
CID 125471550
methyl 3-diethoxyphosphorylbutanoate
CID 14418068
methyl 4-amino-5-methylhept-2-enoate
CID 123237204
methyl 4-bromopent-2-enoate
CID 54128087
methyl (4S)-4-aminopent-2-enoate
CID 91583994
(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085
methyl (E)-4-hydroxyoct-2-enoate
CID 12872059
dimethyl (Z)-but-2-enedioate;ethyl acetate
CID 174859797

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-diethoxyphosphorylpent-2-enoate?
The IUPAC name of methyl (E)-4-diethoxyphosphorylpent-2-enoate (CID 24864443) is methyl (E)-4-diethoxyphosphorylpent-2-enoate.
What is the SMILES notation for methyl (E)-4-diethoxyphosphorylpent-2-enoate?
The canonical SMILES for methyl (E)-4-diethoxyphosphorylpent-2-enoate is CCOP(=O)(OCC)C(C)/C=C/C(=O)OC.
What is the InChIKey of methyl (E)-4-diethoxyphosphorylpent-2-enoate?
The InChIKey is JSRWVOIZSXHBMN-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H19O5P/c1-5-14-16(12,15-6-2)9(3)7-8-10(11)13-4/h7-9H,5-6H2,1-4H3/b8-7+.
What are the key properties of methyl (E)-4-diethoxyphosphorylpent-2-enoate?
methyl (E)-4-diethoxyphosphorylpent-2-enoate has a molecular weight of 250.23 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-diethoxyphosphorylpent-2-enoate is sourced from PubChem (CID 24864443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).