dihydroxy-(3-methylbut-3-enoxy)-trihydroxyphosphaniumyloxyphosphanium

C5H14O7P2+2 — CID 78225831

IUPACdihydroxy-(3-methylbut-3-enoxy)-trihydroxyphosphaniumyloxyphosphanium
SMILESC=C(C)CCO[P+](O)(O)O[P+](O)(O)O
InChIInChI=1S/C5H14O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h6-10H,1,3-4H2,2H3/q+2
InChIKeyAPSHWWHBMHAGGB-UHFFFAOYSA-N
MW248.11 g/mol
LogP0.30
Rot. Bonds6

About dihydroxy-(3-methylbut-3-enoxy)-trihydroxyphosphaniumyloxyphosphanium

dihydroxy-(3-methylbut-3-enoxy)-trihydroxyphosphaniumyloxyphosphanium (PubChem CID 78225831) has the molecular formula C5H14O7P2+2 and a molecular weight of 248.11 g/mol. Its IUPAC name is dihydroxy-(3-methylbut-3-enoxy)-trihydroxyphosphaniumyloxyphosphanium.

Molecular Properties

Compound Namedihydroxy-(3-methylbut-3-enoxy)-trihydroxyphosphaniumyloxyphosphanium
PubChem CID78225831
Molecular FormulaC5H14O7P2+2
Molecular Weight248.11 g/mol
Exact Mass248.02
IUPAC Namedihydroxy-(3-methylbut-3-enoxy)-trihydroxyphosphaniumyloxyphosphanium
SMILESC=C(C)CCO[P+](O)(O)O[P+](O)(O)O
InChIInChI=1S/C5H14O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h6-10H,1,3-4H2,2H3/q+2
InChIKeyAPSHWWHBMHAGGB-UHFFFAOYSA-N
XLogP0.30
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 50.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Isopentenyl diphosphate
CID 1195
Isopentenyl phosphate
CID 21896400
3-Methylbut-3-enyl pyrophosphate
CID 15983957
3-Methylbut-3-en-1-yl phosphate
CID 44123422
isopentenyl pyrophosphate trilithium salt
CID 71311926
3-Methylidenepentyl phosphono hydrogen phosphate
CID 14163645
Isopentenyl methylenediphosphonate
CID 195260
3-(Fluoromethyl)-3-butenyl diphosphate
CID 3035525
[Ethoxy(3-methylbut-3-enoxy)phosphoryl] ethyl 3-methylbut-3-enyl phosphate
CID 14086649
Diethoxyphosphoryl ethyl 3-methylbut-3-enyl phosphate
CID 14086660
Dipropoxyphosphoryl 3-methylbut-3-enyl propyl phosphate
CID 14086661
Dimethyl 3-methylbut-3-en-1-yl phosphate
CID 14759800

Frequently Asked Questions

What is the IUPAC name of dihydroxy-(3-methylbut-3-enoxy)-trihydroxyphosphaniumyloxyphosphanium?
The IUPAC name of dihydroxy-(3-methylbut-3-enoxy)-trihydroxyphosphaniumyloxyphosphanium (CID 78225831) is dihydroxy-(3-methylbut-3-enoxy)-trihydroxyphosphaniumyloxyphosphanium.
What is the SMILES notation for dihydroxy-(3-methylbut-3-enoxy)-trihydroxyphosphaniumyloxyphosphanium?
The canonical SMILES for dihydroxy-(3-methylbut-3-enoxy)-trihydroxyphosphaniumyloxyphosphanium is C=C(C)CCO[P+](O)(O)O[P+](O)(O)O.
What is the InChIKey of dihydroxy-(3-methylbut-3-enoxy)-trihydroxyphosphaniumyloxyphosphanium?
The InChIKey is APSHWWHBMHAGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h6-10H,1,3-4H2,2H3/q+2.
What are the key properties of dihydroxy-(3-methylbut-3-enoxy)-trihydroxyphosphaniumyloxyphosphanium?
dihydroxy-(3-methylbut-3-enoxy)-trihydroxyphosphaniumyloxyphosphanium has a molecular weight of 248.11 g/mol, XLogP of 0.30, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-(3-methylbut-3-enoxy)-trihydroxyphosphaniumyloxyphosphanium is sourced from PubChem (CID 78225831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).