5-butylnonan-5-yl(trihydroxy)phosphanium

C13H30O3P+ — CID 172861013

IUPAC5-butylnonan-5-yl(trihydroxy)phosphanium
SMILESCCCCC(CCCC)(CCCC)[P+](O)(O)O
InChIInChI=1S/C13H30O3P/c1-4-7-10-13(11-8-5-2,12-9-6-3)17(14,15)16/h14-16H,4-12H2,1-3H3/q+1
InChIKeyGQTDIMYXOMLDBS-UHFFFAOYSA-N
MW265.35 g/mol
LogP4.04
Rot. Bonds10

About 5-butylnonan-5-yl(trihydroxy)phosphanium

5-butylnonan-5-yl(trihydroxy)phosphanium (PubChem CID 172861013) has the molecular formula C13H30O3P+ and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-butylnonan-5-yl(trihydroxy)phosphanium.

Molecular Properties

Compound Name5-butylnonan-5-yl(trihydroxy)phosphanium
PubChem CID172861013
Molecular FormulaC13H30O3P+
Molecular Weight265.35 g/mol
Exact Mass265.19
IUPAC Name5-butylnonan-5-yl(trihydroxy)phosphanium
SMILESCCCCC(CCCC)(CCCC)[P+](O)(O)O
InChIInChI=1S/C13H30O3P/c1-4-7-10-13(11-8-5-2,12-9-6-3)17(14,15)16/h14-16H,4-12H2,1-3H3/q+1
InChIKeyGQTDIMYXOMLDBS-UHFFFAOYSA-N
XLogP4.04
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butylheptane-2,3-diol
CID 11008688
2-amino-2-butylhexane-1,1-diol
CID 126727355
3-decyltridecane-2,3-diol
CID 175905550
2,4,4-trimethyloctan-3-ol
CID 57242612
(3R)-3-methyl-3-propan-2-ylheptan-2-ol
CID 126716836
4,4-dimethylhexadecan-3-ol
CID 168719984
5-butyl-6-iododecan-5-ol
CID 156696088
(2,3-dihydroxy-3-octylundecanoyl) 2,3-dihydroxy-3-octylundecanoate
CID 163230542
6,6-dibutyl-2-methyldecane
CID 150480915
6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane
CID 157290295
8,8,10,10-tetrabutylheptadecan-9-imine
CID 21412162
2-butyl-2-methylpentane-1,3-diol
CID 14742514

Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl(trihydroxy)phosphanium?
The IUPAC name of 5-butylnonan-5-yl(trihydroxy)phosphanium (CID 172861013) is 5-butylnonan-5-yl(trihydroxy)phosphanium.
What is the SMILES notation for 5-butylnonan-5-yl(trihydroxy)phosphanium?
The canonical SMILES for 5-butylnonan-5-yl(trihydroxy)phosphanium is CCCCC(CCCC)(CCCC)[P+](O)(O)O.
What is the InChIKey of 5-butylnonan-5-yl(trihydroxy)phosphanium?
The InChIKey is GQTDIMYXOMLDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O3P/c1-4-7-10-13(11-8-5-2,12-9-6-3)17(14,15)16/h14-16H,4-12H2,1-3H3/q+1.
What are the key properties of 5-butylnonan-5-yl(trihydroxy)phosphanium?
5-butylnonan-5-yl(trihydroxy)phosphanium has a molecular weight of 265.35 g/mol, XLogP of 4.04, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl(trihydroxy)phosphanium is sourced from PubChem (CID 172861013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).