but-1-en-2-yloxy-hydroxy-oxophosphanium

C4H8O3P+ — CID 170345188

IUPACbut-1-en-2-yloxy-hydroxy-oxophosphanium
SMILESC=C(CC)O[P+](=O)O
InChIInChI=1S/C4H7O3P/c1-3-4(2)7-8(5)6/h2-3H2,1H3/p+1
InChIKeyPTQBGILDZRBYJD-UHFFFAOYSA-O
MW135.08 g/mol
LogP1.58
Rot. Bonds3

About but-1-en-2-yloxy-hydroxy-oxophosphanium

but-1-en-2-yloxy-hydroxy-oxophosphanium (PubChem CID 170345188) has the molecular formula C4H8O3P+ and a molecular weight of 135.08 g/mol. Its IUPAC name is but-1-en-2-yloxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Namebut-1-en-2-yloxy-hydroxy-oxophosphanium
PubChem CID170345188
Molecular FormulaC4H8O3P+
Molecular Weight135.08 g/mol
Exact Mass135.02
IUPAC Namebut-1-en-2-yloxy-hydroxy-oxophosphanium
SMILESC=C(CC)O[P+](=O)O
InChIInChI=1S/C4H7O3P/c1-3-4(2)7-8(5)6/h2-3H2,1H3/p+1
InChIKeyPTQBGILDZRBYJD-UHFFFAOYSA-O
XLogP1.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.08
LogP ≤ 51.58
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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Related Compounds

Oxo-bis(prop-1-en-2-yloxy)phosphanium
CID 56973989
3-Methylbut-1-en-2-yl dihydrogen phosphate
CID 57204215
Butyl(prop-1-en-2-yloxy)phosphinic acid
CID 87154804
2-[Methyl(prop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene
CID 87155213
Methyl(prop-1-en-2-yloxy)phosphinic acid
CID 87155214
Ethyl(prop-1-en-2-yloxy)phosphinic acid
CID 87155786
Bis(but-1-en-2-yloxy)-oxophosphanium
CID 87234999
Pent-1-en-2-yl dihydrogen phosphate
CID 87731953
Hydroxy-oxo-prop-1-en-2-yloxyphosphanium
CID 88219018
But-1-en-2-yl dihydrogen phosphate
CID 89601233
But-1-en-2-ol;phosphoric acid
CID 89601234
Hydroxy-(3-methylbut-1-en-2-yloxy)-oxophosphanium
CID 130453680

Frequently Asked Questions

What is the IUPAC name of but-1-en-2-yloxy-hydroxy-oxophosphanium?
The IUPAC name of but-1-en-2-yloxy-hydroxy-oxophosphanium (CID 170345188) is but-1-en-2-yloxy-hydroxy-oxophosphanium.
What is the SMILES notation for but-1-en-2-yloxy-hydroxy-oxophosphanium?
The canonical SMILES for but-1-en-2-yloxy-hydroxy-oxophosphanium is C=C(CC)O[P+](=O)O.
What is the InChIKey of but-1-en-2-yloxy-hydroxy-oxophosphanium?
The InChIKey is PTQBGILDZRBYJD-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7O3P/c1-3-4(2)7-8(5)6/h2-3H2,1H3/p+1.
What are the key properties of but-1-en-2-yloxy-hydroxy-oxophosphanium?
but-1-en-2-yloxy-hydroxy-oxophosphanium has a molecular weight of 135.08 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-en-2-yloxy-hydroxy-oxophosphanium is sourced from PubChem (CID 170345188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).