dodecanoyl(trihydroxy)phosphanium

C12H26O4P+ — CID 57251576

IUPACdodecanoyl(trihydroxy)phosphanium
SMILESCCCCCCCCCCCC(=O)[P+](O)(O)O
InChIInChI=1S/C12H26O4P/c1-2-3-4-5-6-7-8-9-10-11-12(13)17(14,15)16/h14-16H,2-11H2,1H3/q+1
InChIKeySIWGYDKQHHFYGN-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.17
Rot. Bonds11

About dodecanoyl(trihydroxy)phosphanium

dodecanoyl(trihydroxy)phosphanium (PubChem CID 57251576) has the molecular formula C12H26O4P+ and a molecular weight of 265.31 g/mol. Its IUPAC name is dodecanoyl(trihydroxy)phosphanium.

Molecular Properties

Compound Namedodecanoyl(trihydroxy)phosphanium
PubChem CID57251576
Molecular FormulaC12H26O4P+
Molecular Weight265.31 g/mol
Exact Mass265.16
IUPAC Namedodecanoyl(trihydroxy)phosphanium
SMILESCCCCCCCCCCCC(=O)[P+](O)(O)O
InChIInChI=1S/C12H26O4P/c1-2-3-4-5-6-7-8-9-10-11-12(13)17(14,15)16/h14-16H,2-11H2,1H3/q+1
InChIKeySIWGYDKQHHFYGN-UHFFFAOYSA-N
XLogP3.17
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-methylhexadecan-3-one
CID 58030381
dihydroxymethyl nonanoate
CID 118275765
dodecanoyl dodecaneperoxoate;propan-2-ol
CID 174989441
octadecanamide;bis(propan-2-ol)
CID 90014672
2-hydroxyicosan-3-one
CID 57023276
1-hydroxyethyl hexadecanoate
CID 87454687
azane;dihydroxymethyl octadecanoate
CID 174373244
1-hydroxyethyl decanoate
CID 176884014
octadecane-9,10-dione
CID 10902085
pentacosane-7,19-dione
CID 139254510
nonatriacontane-16,17-dione
CID 175447711
pentadecan-8-one
CID 13162

Frequently Asked Questions

What is the IUPAC name of dodecanoyl(trihydroxy)phosphanium?
The IUPAC name of dodecanoyl(trihydroxy)phosphanium (CID 57251576) is dodecanoyl(trihydroxy)phosphanium.
What is the SMILES notation for dodecanoyl(trihydroxy)phosphanium?
The canonical SMILES for dodecanoyl(trihydroxy)phosphanium is CCCCCCCCCCCC(=O)[P+](O)(O)O.
What is the InChIKey of dodecanoyl(trihydroxy)phosphanium?
The InChIKey is SIWGYDKQHHFYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4P/c1-2-3-4-5-6-7-8-9-10-11-12(13)17(14,15)16/h14-16H,2-11H2,1H3/q+1.
What are the key properties of dodecanoyl(trihydroxy)phosphanium?
dodecanoyl(trihydroxy)phosphanium has a molecular weight of 265.31 g/mol, XLogP of 3.17, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanoyl(trihydroxy)phosphanium is sourced from PubChem (CID 57251576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).