hydroxy-(3-methylbut-1-en-2-yloxy)-oxophosphanium

C5H10O3P+ — CID 130453680

IUPAChydroxy-(3-methylbut-1-en-2-yloxy)-oxophosphanium
SMILESC=C(O[P+](=O)O)C(C)C
InChIInChI=1S/C5H9O3P/c1-4(2)5(3)8-9(6)7/h4H,3H2,1-2H3/p+1
InChIKeyUWSMJTHSVFIKNE-UHFFFAOYSA-O
MW149.11 g/mol
LogP1.82
Rot. Bonds3

About hydroxy-(3-methylbut-1-en-2-yloxy)-oxophosphanium

hydroxy-(3-methylbut-1-en-2-yloxy)-oxophosphanium (PubChem CID 130453680) has the molecular formula C5H10O3P+ and a molecular weight of 149.11 g/mol. Its IUPAC name is hydroxy-(3-methylbut-1-en-2-yloxy)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(3-methylbut-1-en-2-yloxy)-oxophosphanium
PubChem CID130453680
Molecular FormulaC5H10O3P+
Molecular Weight149.11 g/mol
Exact Mass149.04
IUPAC Namehydroxy-(3-methylbut-1-en-2-yloxy)-oxophosphanium
SMILESC=C(O[P+](=O)O)C(C)C
InChIInChI=1S/C5H9O3P/c1-4(2)5(3)8-9(6)7/h4H,3H2,1-2H3/p+1
InChIKeyUWSMJTHSVFIKNE-UHFFFAOYSA-O
XLogP1.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-(3-methylbut-1-en-2-yloxy)-oxophosphanium?
The IUPAC name of hydroxy-(3-methylbut-1-en-2-yloxy)-oxophosphanium (CID 130453680) is hydroxy-(3-methylbut-1-en-2-yloxy)-oxophosphanium.
What is the SMILES notation for hydroxy-(3-methylbut-1-en-2-yloxy)-oxophosphanium?
The canonical SMILES for hydroxy-(3-methylbut-1-en-2-yloxy)-oxophosphanium is C=C(O[P+](=O)O)C(C)C.
What is the InChIKey of hydroxy-(3-methylbut-1-en-2-yloxy)-oxophosphanium?
The InChIKey is UWSMJTHSVFIKNE-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9O3P/c1-4(2)5(3)8-9(6)7/h4H,3H2,1-2H3/p+1.
What are the key properties of hydroxy-(3-methylbut-1-en-2-yloxy)-oxophosphanium?
hydroxy-(3-methylbut-1-en-2-yloxy)-oxophosphanium has a molecular weight of 149.11 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(3-methylbut-1-en-2-yloxy)-oxophosphanium is sourced from PubChem (CID 130453680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).