hydroxy(tripentyl)phosphanium

C15H34OP+ — CID 87283132

IUPAChydroxy(tripentyl)phosphanium
SMILESCCCCC[P+](O)(CCCCC)CCCCC
InChIInChI=1S/C15H34OP/c1-4-7-10-13-17(16,14-11-8-5-2)15-12-9-6-3/h16H,4-15H2,1-3H3/q+1
InChIKeyUTDVSVLYHPLHJE-UHFFFAOYSA-N
MW261.41 g/mol
LogP5.48
Rot. Bonds12

About hydroxy(tripentyl)phosphanium

hydroxy(tripentyl)phosphanium (PubChem CID 87283132) has the molecular formula C15H34OP+ and a molecular weight of 261.41 g/mol. Its IUPAC name is hydroxy(tripentyl)phosphanium.

Molecular Properties

Compound Namehydroxy(tripentyl)phosphanium
PubChem CID87283132
Molecular FormulaC15H34OP+
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Namehydroxy(tripentyl)phosphanium
SMILESCCCCC[P+](O)(CCCCC)CCCCC
InChIInChI=1S/C15H34OP/c1-4-7-10-13-17(16,14-11-8-5-2)15-12-9-6-3/h16H,4-15H2,1-3H3/q+1
InChIKeyUTDVSVLYHPLHJE-UHFFFAOYSA-N
XLogP5.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.41
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

cadmium;trihydroxy(pentyl)phosphanium
CID 175330223
octane;propan-2-ol
CID 160746796
decane;dodecane-1,1-diol
CID 162011285
nonacosane-7,20-diol
CID 174949468
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
nonacosane-1,1-diol
CID 23066924
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851

Frequently Asked Questions

What is the IUPAC name of hydroxy(tripentyl)phosphanium?
The IUPAC name of hydroxy(tripentyl)phosphanium (CID 87283132) is hydroxy(tripentyl)phosphanium.
What is the SMILES notation for hydroxy(tripentyl)phosphanium?
The canonical SMILES for hydroxy(tripentyl)phosphanium is CCCCC[P+](O)(CCCCC)CCCCC.
What is the InChIKey of hydroxy(tripentyl)phosphanium?
The InChIKey is UTDVSVLYHPLHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34OP/c1-4-7-10-13-17(16,14-11-8-5-2)15-12-9-6-3/h16H,4-15H2,1-3H3/q+1.
What are the key properties of hydroxy(tripentyl)phosphanium?
hydroxy(tripentyl)phosphanium has a molecular weight of 261.41 g/mol, XLogP of 5.48, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(tripentyl)phosphanium is sourced from PubChem (CID 87283132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).