butoxy-dodecoxy-oxophosphanium

C16H34O3P+ — CID 175103299

IUPACbutoxy-dodecoxy-oxophosphanium
SMILESCCCCCCCCCCCCO[P+](=O)OCCCC
InChIInChI=1S/C16H34O3P/c1-3-5-7-8-9-10-11-12-13-14-16-19-20(17)18-15-6-4-2/h3-16H2,1-2H3/q+1
InChIKeyVVKIOOXZGBKHIX-UHFFFAOYSA-N
MW305.42 g/mol
LogP6.40
Rot. Bonds16

About butoxy-dodecoxy-oxophosphanium

butoxy-dodecoxy-oxophosphanium (PubChem CID 175103299) has the molecular formula C16H34O3P+ and a molecular weight of 305.42 g/mol. Its IUPAC name is butoxy-dodecoxy-oxophosphanium.

Molecular Properties

Compound Namebutoxy-dodecoxy-oxophosphanium
PubChem CID175103299
Molecular FormulaC16H34O3P+
Molecular Weight305.42 g/mol
Exact Mass305.22
IUPAC Namebutoxy-dodecoxy-oxophosphanium
SMILESCCCCCCCCCCCCO[P+](=O)OCCCC
InChIInChI=1S/C16H34O3P/c1-3-5-7-8-9-10-11-12-13-14-16-19-20(17)18-15-6-4-2/h3-16H2,1-2H3/q+1
InChIKeyVVKIOOXZGBKHIX-UHFFFAOYSA-N
XLogP6.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dioctadecoxy(oxo)phosphanium
CID 6327799
dodecoxy-octoxy-oxophosphanium
CID 154187352
dioctoxy(oxo)phosphanium;zinc
CID 175522796
oxo(dipentoxy)phosphanium;zinc
CID 157360735
benzene;dihexoxy(oxo)phosphanium
CID 19391965
ethoxy-hexoxy-oxophosphanium
CID 6329155
ethoxy-oxo-pentoxyphosphanium
CID 86182061
2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium
CID 169075510
2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 174865096
heptoxy-oxo-propan-2-yloxyphosphanium
CID 175466874

Frequently Asked Questions

What is the IUPAC name of butoxy-dodecoxy-oxophosphanium?
The IUPAC name of butoxy-dodecoxy-oxophosphanium (CID 175103299) is butoxy-dodecoxy-oxophosphanium.
What is the SMILES notation for butoxy-dodecoxy-oxophosphanium?
The canonical SMILES for butoxy-dodecoxy-oxophosphanium is CCCCCCCCCCCCO[P+](=O)OCCCC.
What is the InChIKey of butoxy-dodecoxy-oxophosphanium?
The InChIKey is VVKIOOXZGBKHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3P/c1-3-5-7-8-9-10-11-12-13-14-16-19-20(17)18-15-6-4-2/h3-16H2,1-2H3/q+1.
What are the key properties of butoxy-dodecoxy-oxophosphanium?
butoxy-dodecoxy-oxophosphanium has a molecular weight of 305.42 g/mol, XLogP of 6.40, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-dodecoxy-oxophosphanium is sourced from PubChem (CID 175103299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).