2-carboxyoct-2-enyl-ethanimidoyl-dihydroxyphosphanium

C11H21NO4P+ — CID 57019074

IUPAC2-carboxyoct-2-enyl-ethanimidoyl-dihydroxyphosphanium
SMILES[H]/N=C(\C)[P+](O)(O)CC(=CCCCCC)C(=O)O
InChIInChI=1S/C11H20NO4P/c1-3-4-5-6-7-10(11(13)14)8-17(15,16)9(2)12/h7,12,15-16H,3-6,8H2,1-2H3/p+1/b10-7?,12-9+
InChIKeyLRDGOOXVFWRZCQ-FMSFNXSISA-O
MW262.27 g/mol
LogP2.41
Rot. Bonds8

About 2-carboxyoct-2-enyl-ethanimidoyl-dihydroxyphosphanium

2-carboxyoct-2-enyl-ethanimidoyl-dihydroxyphosphanium (PubChem CID 57019074) has the molecular formula C11H21NO4P+ and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-carboxyoct-2-enyl-ethanimidoyl-dihydroxyphosphanium.

Molecular Properties

Compound Name2-carboxyoct-2-enyl-ethanimidoyl-dihydroxyphosphanium
PubChem CID57019074
Molecular FormulaC11H21NO4P+
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name2-carboxyoct-2-enyl-ethanimidoyl-dihydroxyphosphanium
SMILES[H]/N=C(\C)[P+](O)(O)CC(=CCCCCC)C(=O)O
InChIInChI=1S/C11H20NO4P/c1-3-4-5-6-7-10(11(13)14)8-17(15,16)9(2)12/h7,12,15-16H,3-6,8H2,1-2H3/p+1/b10-7?,12-9+
InChIKeyLRDGOOXVFWRZCQ-FMSFNXSISA-O
XLogP2.41
TPSA101.61 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxypropyl)hept-2-enoic acid
CID 87793618
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773
2-octylundec-2-enoic acid
CID 87266721
(E)-2-octyldec-2-enoic acid
CID 87824483
2-octadecylidenebutanedioic acid
CID 141239026
(Z)-2-chlorooct-2-enoic acid
CID 101279333
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
(Z)-2-hydroxyoct-2-enoic acid
CID 87585119
2-hexylidenepropanedioic acid
CID 21274064
2-(aminooxymethyl)oct-2-enoic acid
CID 150263469

Frequently Asked Questions

What is the IUPAC name of 2-carboxyoct-2-enyl-ethanimidoyl-dihydroxyphosphanium?
The IUPAC name of 2-carboxyoct-2-enyl-ethanimidoyl-dihydroxyphosphanium (CID 57019074) is 2-carboxyoct-2-enyl-ethanimidoyl-dihydroxyphosphanium.
What is the SMILES notation for 2-carboxyoct-2-enyl-ethanimidoyl-dihydroxyphosphanium?
The canonical SMILES for 2-carboxyoct-2-enyl-ethanimidoyl-dihydroxyphosphanium is [H]/N=C(\C)[P+](O)(O)CC(=CCCCCC)C(=O)O.
What is the InChIKey of 2-carboxyoct-2-enyl-ethanimidoyl-dihydroxyphosphanium?
The InChIKey is LRDGOOXVFWRZCQ-FMSFNXSISA-O. The full InChI is InChI=1S/C11H20NO4P/c1-3-4-5-6-7-10(11(13)14)8-17(15,16)9(2)12/h7,12,15-16H,3-6,8H2,1-2H3/p+1/b10-7?,12-9+.
What are the key properties of 2-carboxyoct-2-enyl-ethanimidoyl-dihydroxyphosphanium?
2-carboxyoct-2-enyl-ethanimidoyl-dihydroxyphosphanium has a molecular weight of 262.27 g/mol, XLogP of 2.41, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyoct-2-enyl-ethanimidoyl-dihydroxyphosphanium is sourced from PubChem (CID 57019074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).