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

C11H20O5P+ — CID 59760931

IUPACmethoxy-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium
SMILESCCC/C=C(\C)COC(=O)OCC[P+](=O)OC
InChIInChI=1S/C11H20O5P/c1-4-5-6-10(2)9-16-11(12)15-7-8-17(13)14-3/h6H,4-5,7-9H2,1-3H3/q+1/b10-6+
InChIKeyLCFYDHKYOVFKQO-UXBLZVDNSA-N
MW263.25 g/mol
LogP3.27
Rot. Bonds8

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

methoxy-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium (PubChem CID 59760931) has the molecular formula C11H20O5P+ and a molecular weight of 263.25 g/mol. Its IUPAC name is methoxy-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium.

Molecular Properties

Compound Namemethoxy-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium
PubChem CID59760931
Molecular FormulaC11H20O5P+
Molecular Weight263.25 g/mol
Exact Mass263.10
IUPAC Namemethoxy-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium
SMILESCCC/C=C(\C)COC(=O)OCC[P+](=O)OC
InChIInChI=1S/C11H20O5P/c1-4-5-6-10(2)9-16-11(12)15-7-8-17(13)14-3/h6H,4-5,7-9H2,1-3H3/q+1/b10-6+
InChIKeyLCFYDHKYOVFKQO-UXBLZVDNSA-N
XLogP3.27
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methylamino-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium
CID 59760938
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-methylnon-2-enyl propanoate
CID 5066536
2-methyldec-2-enyl acetate
CID 123999734
[(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
[(Z)-3-methylhept-3-enyl] phosphono hydrogen phosphate
CID 102509629
[(2E,6E)-2,6-dimethylocta-2,6-dienyl] acetate
CID 88547676
methyl (E)-2-methylhex-2-enoate
CID 5364816

Frequently Asked Questions

What is the IUPAC name of methoxy-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium?
The IUPAC name of methoxy-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium (CID 59760931) is methoxy-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium.
What is the SMILES notation for methoxy-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium?
The canonical SMILES for methoxy-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium is CCC/C=C(\C)COC(=O)OCC[P+](=O)OC.
What is the InChIKey of methoxy-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium?
The InChIKey is LCFYDHKYOVFKQO-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H20O5P/c1-4-5-6-10(2)9-16-11(12)15-7-8-17(13)14-3/h6H,4-5,7-9H2,1-3H3/q+1/b10-6+.
What are the key properties of methoxy-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium?
methoxy-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium has a molecular weight of 263.25 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[2-[(E)-2-methylhex-2-enoxy]carbonyloxyethyl]-oxophosphanium is sourced from PubChem (CID 59760931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).