methylamino-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium

C11H21NO4P+ — CID 59760938

IUPACmethylamino-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium
SMILESCCC/C=C(\C)COC(=O)OCC[P+](=O)NC
InChIInChI=1S/C11H21NO4P/c1-4-5-6-10(2)9-16-11(13)15-7-8-17(14)12-3/h6H,4-5,7-9H2,1-3H3,(H,12,14)/q+1/b10-6+
InChIKeyCYRNPAXCGPXZNE-UXBLZVDNSA-N
MW262.27 g/mol
LogP2.85
Rot. Bonds8

About methylamino-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium

methylamino-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium (PubChem CID 59760938) has the molecular formula C11H21NO4P+ and a molecular weight of 262.27 g/mol. Its IUPAC name is methylamino-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium.

Molecular Properties

Compound Namemethylamino-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium
PubChem CID59760938
Molecular FormulaC11H21NO4P+
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Namemethylamino-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium
SMILESCCC/C=C(\C)COC(=O)OCC[P+](=O)NC
InChIInChI=1S/C11H21NO4P/c1-4-5-6-10(2)9-16-11(13)15-7-8-17(14)12-3/h6H,4-5,7-9H2,1-3H3,(H,12,14)/q+1/b10-6+
InChIKeyCYRNPAXCGPXZNE-UXBLZVDNSA-N
XLogP2.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methoxy-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium
CID 59760931
methoxy-[2-[[(E)-2-methylhex-2-enoxy]carbonylamino]ethyl]-oxophosphanium
CID 59760936
[(E)-4-ethoxycarbonyloxy-2-methylbut-2-enyl] ethyl carbonate
CID 101011566
[(E)-5-acetyloxy-4-methylpent-3-enyl] acetate
CID 11310159
2-methyldec-2-enyl acetate
CID 123999734
2-methylnon-2-enyl propanoate
CID 5066536
[(E)-2-methylhept-2-enyl] 4-oxopentanoate
CID 58988327
N-methoxy-2-methylhex-2-enamide
CID 159177287
1-O-methyl 3-O-[(E)-4-methyl-5-phenylmethoxycarbonyloxypent-3-enyl] propanedioate
CID 56850897
4-methyl-5-propoxy-N-propylpent-3-en-1-amine
CID 79598097
[(2E,6E)-2,6-dimethylocta-2,6-dienyl] acetate
CID 88547676
2-methylpent-2-enyl hydrogen carbonate
CID 173361904

Frequently Asked Questions

What is the IUPAC name of methylamino-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium?
The IUPAC name of methylamino-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium (CID 59760938) is methylamino-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium.
What is the SMILES notation for methylamino-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium?
The canonical SMILES for methylamino-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium is CCC/C=C(\C)COC(=O)OCC[P+](=O)NC.
What is the InChIKey of methylamino-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium?
The InChIKey is CYRNPAXCGPXZNE-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H21NO4P/c1-4-5-6-10(2)9-16-11(13)15-7-8-17(14)12-3/h6H,4-5,7-9H2,1-3H3,(H,12,14)/q+1/b10-6+.
What are the key properties of methylamino-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium?
methylamino-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium has a molecular weight of 262.27 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium is sourced from PubChem (CID 59760938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).