hexadecoxy(oxo)phosphanium

C16H34O2P+ — CID 123281757

IUPAChexadecoxy(oxo)phosphanium
SMILESCCCCCCCCCCCCCCCCO[PH+]=O
InChIInChI=1S/C16H34O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-19-17/h19H,2-16H2,1H3/q+1
InChIKeyTTZVSYGRNXRCFU-UHFFFAOYSA-N
MW289.42 g/mol
LogP6.42
Rot. Bonds16

About hexadecoxy(oxo)phosphanium

hexadecoxy(oxo)phosphanium (PubChem CID 123281757) has the molecular formula C16H34O2P+ and a molecular weight of 289.42 g/mol. Its IUPAC name is hexadecoxy(oxo)phosphanium.

Molecular Properties

Compound Namehexadecoxy(oxo)phosphanium
PubChem CID123281757
Molecular FormulaC16H34O2P+
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC Namehexadecoxy(oxo)phosphanium
SMILESCCCCCCCCCCCCCCCCO[PH+]=O
InChIInChI=1S/C16H34O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-19-17/h19H,2-16H2,1H3/q+1
InChIKeyTTZVSYGRNXRCFU-UHFFFAOYSA-N
XLogP6.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 56.42
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

cobalt(2+);heptoxy(oxo)phosphanium
CID 157228735
CID 158729171
CID 158729171
decane;ruthenium
CID 160818595
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-decoxydocosane
CID 87077677
dodecylmercury;hydrate
CID 78070234
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-octylperoxynonane
CID 151564626

Frequently Asked Questions

What is the IUPAC name of hexadecoxy(oxo)phosphanium?
The IUPAC name of hexadecoxy(oxo)phosphanium (CID 123281757) is hexadecoxy(oxo)phosphanium.
What is the SMILES notation for hexadecoxy(oxo)phosphanium?
The canonical SMILES for hexadecoxy(oxo)phosphanium is CCCCCCCCCCCCCCCCO[PH+]=O.
What is the InChIKey of hexadecoxy(oxo)phosphanium?
The InChIKey is TTZVSYGRNXRCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-19-17/h19H,2-16H2,1H3/q+1.
What are the key properties of hexadecoxy(oxo)phosphanium?
hexadecoxy(oxo)phosphanium has a molecular weight of 289.42 g/mol, XLogP of 6.42, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecoxy(oxo)phosphanium is sourced from PubChem (CID 123281757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).