but-3-enyl-hexoxy-oxophosphanium

C10H20O2P+ — CID 57123904

IUPACbut-3-enyl-hexoxy-oxophosphanium
SMILESC=CCC[P+](=O)OCCCCCC
InChIInChI=1S/C10H20O2P/c1-3-5-7-8-9-12-13(11)10-6-4-2/h4H,2-3,5-10H2,1H3/q+1
InChIKeyBXPSPUDQPVKAHE-UHFFFAOYSA-N
MW203.24 g/mol
LogP3.90
Rot. Bonds9

About but-3-enyl-hexoxy-oxophosphanium

but-3-enyl-hexoxy-oxophosphanium (PubChem CID 57123904) has the molecular formula C10H20O2P+ and a molecular weight of 203.24 g/mol. Its IUPAC name is but-3-enyl-hexoxy-oxophosphanium.

Molecular Properties

Compound Namebut-3-enyl-hexoxy-oxophosphanium
PubChem CID57123904
Molecular FormulaC10H20O2P+
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namebut-3-enyl-hexoxy-oxophosphanium
SMILESC=CCC[P+](=O)OCCCCCC
InChIInChI=1S/C10H20O2P/c1-3-5-7-8-9-12-13(11)10-6-4-2/h4H,2-3,5-10H2,1H3/q+1
InChIKeyBXPSPUDQPVKAHE-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-enyl-hexoxy-oxophosphanium?
The IUPAC name of but-3-enyl-hexoxy-oxophosphanium (CID 57123904) is but-3-enyl-hexoxy-oxophosphanium.
What is the SMILES notation for but-3-enyl-hexoxy-oxophosphanium?
The canonical SMILES for but-3-enyl-hexoxy-oxophosphanium is C=CCC[P+](=O)OCCCCCC.
What is the InChIKey of but-3-enyl-hexoxy-oxophosphanium?
The InChIKey is BXPSPUDQPVKAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2P/c1-3-5-7-8-9-12-13(11)10-6-4-2/h4H,2-3,5-10H2,1H3/q+1.
What are the key properties of but-3-enyl-hexoxy-oxophosphanium?
but-3-enyl-hexoxy-oxophosphanium has a molecular weight of 203.24 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl-hexoxy-oxophosphanium is sourced from PubChem (CID 57123904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).