hex-3-en-3-yloxy-hydroxy-oxophosphanium

C6H12O3P+ — CID 87262138

IUPAChex-3-en-3-yloxy-hydroxy-oxophosphanium
SMILESCCC=C(CC)O[P+](=O)O
InChIInChI=1S/C6H11O3P/c1-3-5-6(4-2)9-10(7)8/h5H,3-4H2,1-2H3/p+1
InChIKeyWBGGKHNONYTQDB-UHFFFAOYSA-O
MW163.13 g/mol
LogP2.36
Rot. Bonds4

About hex-3-en-3-yloxy-hydroxy-oxophosphanium

hex-3-en-3-yloxy-hydroxy-oxophosphanium (PubChem CID 87262138) has the molecular formula C6H12O3P+ and a molecular weight of 163.13 g/mol. Its IUPAC name is hex-3-en-3-yloxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Namehex-3-en-3-yloxy-hydroxy-oxophosphanium
PubChem CID87262138
Molecular FormulaC6H12O3P+
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Namehex-3-en-3-yloxy-hydroxy-oxophosphanium
SMILESCCC=C(CC)O[P+](=O)O
InChIInChI=1S/C6H11O3P/c1-3-5-6(4-2)9-10(7)8/h5H,3-4H2,1-2H3/p+1
InChIKeyWBGGKHNONYTQDB-UHFFFAOYSA-O
XLogP2.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 52.36
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 hex-3-en-3-yloxy-hydroxy-oxophosphanium?
The IUPAC name of hex-3-en-3-yloxy-hydroxy-oxophosphanium (CID 87262138) is hex-3-en-3-yloxy-hydroxy-oxophosphanium.
What is the SMILES notation for hex-3-en-3-yloxy-hydroxy-oxophosphanium?
The canonical SMILES for hex-3-en-3-yloxy-hydroxy-oxophosphanium is CCC=C(CC)O[P+](=O)O.
What is the InChIKey of hex-3-en-3-yloxy-hydroxy-oxophosphanium?
The InChIKey is WBGGKHNONYTQDB-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11O3P/c1-3-5-6(4-2)9-10(7)8/h5H,3-4H2,1-2H3/p+1.
What are the key properties of hex-3-en-3-yloxy-hydroxy-oxophosphanium?
hex-3-en-3-yloxy-hydroxy-oxophosphanium has a molecular weight of 163.13 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-3-en-3-yloxy-hydroxy-oxophosphanium is sourced from PubChem (CID 87262138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).