butoxy-(dichloromethyl)-oxophosphanium

C5H10Cl2O2P+ — CID 154120622

IUPACbutoxy-(dichloromethyl)-oxophosphanium
SMILESCCCCO[P+](=O)C(Cl)Cl
InChIInChI=1S/C5H10Cl2O2P/c1-2-3-4-9-10(8)5(6)7/h5H,2-4H2,1H3/q+1
InChIKeySOCCLFCZHYYRCN-UHFFFAOYSA-N
MW204.01 g/mol
LogP3.31
Rot. Bonds5

About butoxy-(dichloromethyl)-oxophosphanium

butoxy-(dichloromethyl)-oxophosphanium (PubChem CID 154120622) has the molecular formula C5H10Cl2O2P+ and a molecular weight of 204.01 g/mol. Its IUPAC name is butoxy-(dichloromethyl)-oxophosphanium.

Molecular Properties

Compound Namebutoxy-(dichloromethyl)-oxophosphanium
PubChem CID154120622
Molecular FormulaC5H10Cl2O2P+
Molecular Weight204.01 g/mol
Exact Mass202.98
IUPAC Namebutoxy-(dichloromethyl)-oxophosphanium
SMILESCCCCO[P+](=O)C(Cl)Cl
InChIInChI=1S/C5H10Cl2O2P/c1-2-3-4-9-10(8)5(6)7/h5H,2-4H2,1H3/q+1
InChIKeySOCCLFCZHYYRCN-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.01
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butoxy-nonan-5-yl-oxophosphanium
CID 87283149
butoxy-heptan-4-yl-oxophosphanium
CID 87399200
dipotassium;butoxy-hydroxy-oxophosphanium;hydride
CID 173240292
butoxy-hydroxy-oxophosphanium;hexadecane
CID 87605082
calcium bis(butoxy-oxido-oxophosphanium)
CID 161238032
butoxy-dodecoxy-oxophosphanium
CID 175103299
alumane;hydroxy-oxo-pentoxyphosphanium
CID 175153464
hydride;hydroxy-oxo-pentoxyphosphanium;rubidium(1+)
CID 173073813
azane;hexoxy-hydroxy-oxophosphanium
CID 174618925
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dihexadecoxy(oxo)phosphanium
CID 6336657
dioctadecoxy(oxo)phosphanium
CID 6327799

Frequently Asked Questions

What is the IUPAC name of butoxy-(dichloromethyl)-oxophosphanium?
The IUPAC name of butoxy-(dichloromethyl)-oxophosphanium (CID 154120622) is butoxy-(dichloromethyl)-oxophosphanium.
What is the SMILES notation for butoxy-(dichloromethyl)-oxophosphanium?
The canonical SMILES for butoxy-(dichloromethyl)-oxophosphanium is CCCCO[P+](=O)C(Cl)Cl.
What is the InChIKey of butoxy-(dichloromethyl)-oxophosphanium?
The InChIKey is SOCCLFCZHYYRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Cl2O2P/c1-2-3-4-9-10(8)5(6)7/h5H,2-4H2,1H3/q+1.
What are the key properties of butoxy-(dichloromethyl)-oxophosphanium?
butoxy-(dichloromethyl)-oxophosphanium has a molecular weight of 204.01 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-(dichloromethyl)-oxophosphanium is sourced from PubChem (CID 154120622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).