butoxy-hydroxy-oxophosphanium;hexadecane

C20H44O3P+ — CID 87605082

IUPACbutoxy-hydroxy-oxophosphanium;hexadecane
SMILESCCCCCCCCCCCCCCCC.CCCCO[P+](=O)O
InChIInChI=1S/C16H34.C4H9O3P/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-2-3-4-7-8(5)6/h3-16H2,1-2H3;2-4H2,1H3/p+1
InChIKeyOZDDIDRNJBIKMR-UHFFFAOYSA-O
MW363.54 g/mol
LogP7.94
Rot. Bonds17

About butoxy-hydroxy-oxophosphanium;hexadecane

butoxy-hydroxy-oxophosphanium;hexadecane (PubChem CID 87605082) has the molecular formula C20H44O3P+ and a molecular weight of 363.54 g/mol. Its IUPAC name is butoxy-hydroxy-oxophosphanium;hexadecane.

Molecular Properties

Compound Namebutoxy-hydroxy-oxophosphanium;hexadecane
PubChem CID87605082
Molecular FormulaC20H44O3P+
Molecular Weight363.54 g/mol
Exact Mass363.30
IUPAC Namebutoxy-hydroxy-oxophosphanium;hexadecane
SMILESCCCCCCCCCCCCCCCC.CCCCO[P+](=O)O
InChIInChI=1S/C16H34.C4H9O3P/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-2-3-4-7-8(5)6/h3-16H2,1-2H3;2-4H2,1H3/p+1
InChIKeyOZDDIDRNJBIKMR-UHFFFAOYSA-O
XLogP7.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.54
LogP ≤ 57.94
H-Bond Donors ≤ 51
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

azane;hexoxy-hydroxy-oxophosphanium
CID 174618925
dipotassium;butoxy-hydroxy-oxophosphanium;hydride
CID 173240292
alumane;hydroxy-oxo-pentoxyphosphanium
CID 175153464
hydride;hydroxy-oxo-pentoxyphosphanium;rubidium(1+)
CID 173073813
CID 131882023
CID 131882023
butoxy-dodecoxy-oxophosphanium
CID 175103299
pentakis(decane);hydroxy-methoxy-oxophosphanium
CID 173118526
hydroxy-methoxy-oxophosphanium;tetradecane
CID 87604776
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
ethoxy-hydroxy-oxophosphanium;hexadecan-1-amine
CID 173408938
ethoxy-hydroxy-oxophosphanium;octadecan-1-amine
CID 173408964

Frequently Asked Questions

What is the IUPAC name of butoxy-hydroxy-oxophosphanium;hexadecane?
The IUPAC name of butoxy-hydroxy-oxophosphanium;hexadecane (CID 87605082) is butoxy-hydroxy-oxophosphanium;hexadecane.
What is the SMILES notation for butoxy-hydroxy-oxophosphanium;hexadecane?
The canonical SMILES for butoxy-hydroxy-oxophosphanium;hexadecane is CCCCCCCCCCCCCCCC.CCCCO[P+](=O)O.
What is the InChIKey of butoxy-hydroxy-oxophosphanium;hexadecane?
The InChIKey is OZDDIDRNJBIKMR-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H34.C4H9O3P/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-2-3-4-7-8(5)6/h3-16H2,1-2H3;2-4H2,1H3/p+1.
What are the key properties of butoxy-hydroxy-oxophosphanium;hexadecane?
butoxy-hydroxy-oxophosphanium;hexadecane has a molecular weight of 363.54 g/mol, XLogP of 7.94, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-hydroxy-oxophosphanium;hexadecane is sourced from PubChem (CID 87605082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).