butoxy-heptan-4-yl-oxophosphanium

C11H24O2P+ — CID 87399200

IUPACbutoxy-heptan-4-yl-oxophosphanium
SMILESCCCCO[P+](=O)C(CCC)CCC
InChIInChI=1S/C11H24O2P/c1-4-7-10-13-14(12)11(8-5-2)9-6-3/h11H,4-10H2,1-3H3/q+1
InChIKeyHPFRYVLEZKFJSQ-UHFFFAOYSA-N
MW219.28 g/mol
LogP4.51
Rot. Bonds9

About butoxy-heptan-4-yl-oxophosphanium

butoxy-heptan-4-yl-oxophosphanium (PubChem CID 87399200) has the molecular formula C11H24O2P+ and a molecular weight of 219.28 g/mol. Its IUPAC name is butoxy-heptan-4-yl-oxophosphanium.

Molecular Properties

Compound Namebutoxy-heptan-4-yl-oxophosphanium
PubChem CID87399200
Molecular FormulaC11H24O2P+
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Namebutoxy-heptan-4-yl-oxophosphanium
SMILESCCCCO[P+](=O)C(CCC)CCC
InChIInChI=1S/C11H24O2P/c1-4-7-10-13-14(12)11(8-5-2)9-6-3/h11H,4-10H2,1-3H3/q+1
InChIKeyHPFRYVLEZKFJSQ-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butoxy-nonan-5-yl-oxophosphanium
CID 87283149
butoxy-(dichloromethyl)-oxophosphanium
CID 154120622
dipotassium;butoxy-hydroxy-oxophosphanium;hydride
CID 173240292
butoxy-hydroxy-oxophosphanium;hexadecane
CID 87605082
ethoxy-octan-3-yl-oxophosphanium
CID 20976036
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

Frequently Asked Questions

What is the IUPAC name of butoxy-heptan-4-yl-oxophosphanium?
The IUPAC name of butoxy-heptan-4-yl-oxophosphanium (CID 87399200) is butoxy-heptan-4-yl-oxophosphanium.
What is the SMILES notation for butoxy-heptan-4-yl-oxophosphanium?
The canonical SMILES for butoxy-heptan-4-yl-oxophosphanium is CCCCO[P+](=O)C(CCC)CCC.
What is the InChIKey of butoxy-heptan-4-yl-oxophosphanium?
The InChIKey is HPFRYVLEZKFJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2P/c1-4-7-10-13-14(12)11(8-5-2)9-6-3/h11H,4-10H2,1-3H3/q+1.
What are the key properties of butoxy-heptan-4-yl-oxophosphanium?
butoxy-heptan-4-yl-oxophosphanium has a molecular weight of 219.28 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-heptan-4-yl-oxophosphanium is sourced from PubChem (CID 87399200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).