methoxy-[2-[[(E)-2-methylhex-2-enoxy]carbonylamino]ethyl]-oxophosphanium

C11H21NO4P+ — CID 59760936

IUPACmethoxy-[2-[[(E)-2-methylhex-2-enoxy]carbonylamino]ethyl]-oxophosphanium
SMILESCCC/C=C(\C)COC(=O)NCC[P+](=O)OC
InChIInChI=1S/C11H20NO4P/c1-4-5-6-10(2)9-16-11(13)12-7-8-17(14)15-3/h6H,4-5,7-9H2,1-3H3/p+1/b10-6+
InChIKeyHPYPUIWBJLIMBB-UXBLZVDNSA-O
MW262.27 g/mol
LogP2.85
Rot. Bonds8

About methoxy-[2-[[(E)-2-methylhex-2-enoxy]carbonylamino]ethyl]-oxophosphanium

methoxy-[2-[[(E)-2-methylhex-2-enoxy]carbonylamino]ethyl]-oxophosphanium (PubChem CID 59760936) has the molecular formula C11H21NO4P+ and a molecular weight of 262.27 g/mol. Its IUPAC name is methoxy-[2-[[(E)-2-methylhex-2-enoxy]carbonylamino]ethyl]-oxophosphanium.

Molecular Properties

Compound Namemethoxy-[2-[[(E)-2-methylhex-2-enoxy]carbonylamino]ethyl]-oxophosphanium
PubChem CID59760936
Molecular FormulaC11H21NO4P+
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Namemethoxy-[2-[[(E)-2-methylhex-2-enoxy]carbonylamino]ethyl]-oxophosphanium
SMILESCCC/C=C(\C)COC(=O)NCC[P+](=O)OC
InChIInChI=1S/C11H20NO4P/c1-4-5-6-10(2)9-16-11(13)12-7-8-17(14)15-3/h6H,4-5,7-9H2,1-3H3/p+1/b10-6+
InChIKeyHPYPUIWBJLIMBB-UXBLZVDNSA-O
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
methylamino-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium
CID 59760938
3,7,11-trimethyldodeca-2,6,10-trienyl N-pentylcarbamate
CID 123204068
2-methylnon-2-enyl propanoate
CID 5066536
ethyl N-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]carbamate
CID 53467733
(2-amino-2-oxoethyl) N-[(Z)-hexadec-9-enyl]carbamate
CID 140526271
N-methoxy-2-methylhex-2-enamide
CID 159177287
2-methyldec-2-enyl acetate
CID 123999734
2-trimethylsilylethyl N-butylcarbamate
CID 102394632
methyl (E)-2-methylhex-2-enoate
CID 5364816
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate
CID 142103605
methyl 2-[[(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,14,19,23-hexamethylpentacosa-2,6,8,10,12,14,16,18,20,22,24-undecaenoxy]carbonylamino]acetate
CID 59805041

Frequently Asked Questions

What is the IUPAC name of methoxy-[2-[[(E)-2-methylhex-2-enoxy]carbonylamino]ethyl]-oxophosphanium?
The IUPAC name of methoxy-[2-[[(E)-2-methylhex-2-enoxy]carbonylamino]ethyl]-oxophosphanium (CID 59760936) is methoxy-[2-[[(E)-2-methylhex-2-enoxy]carbonylamino]ethyl]-oxophosphanium.
What is the SMILES notation for methoxy-[2-[[(E)-2-methylhex-2-enoxy]carbonylamino]ethyl]-oxophosphanium?
The canonical SMILES for methoxy-[2-[[(E)-2-methylhex-2-enoxy]carbonylamino]ethyl]-oxophosphanium is CCC/C=C(\C)COC(=O)NCC[P+](=O)OC.
What is the InChIKey of methoxy-[2-[[(E)-2-methylhex-2-enoxy]carbonylamino]ethyl]-oxophosphanium?
The InChIKey is HPYPUIWBJLIMBB-UXBLZVDNSA-O. The full InChI is InChI=1S/C11H20NO4P/c1-4-5-6-10(2)9-16-11(13)12-7-8-17(14)15-3/h6H,4-5,7-9H2,1-3H3/p+1/b10-6+.
What are the key properties of methoxy-[2-[[(E)-2-methylhex-2-enoxy]carbonylamino]ethyl]-oxophosphanium?
methoxy-[2-[[(E)-2-methylhex-2-enoxy]carbonylamino]ethyl]-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 methoxy-[2-[[(E)-2-methylhex-2-enoxy]carbonylamino]ethyl]-oxophosphanium is sourced from PubChem (CID 59760936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).