1-[bromo(pentyl)phosphoryl]pentane

C10H22BrOP — CID 139970522

IUPAC1-[bromo(pentyl)phosphoryl]pentane
SMILESCCCCCP(=O)(Br)CCCCC
InChIInChI=1S/C10H22BrOP/c1-3-5-7-9-13(11,12)10-8-6-4-2/h3-10H2,1-2H3
InChIKeyGNMUQRJNBHMQBG-UHFFFAOYSA-N
MW269.16 g/mol
LogP5.04
Rot. Bonds8

About 1-[bromo(pentyl)phosphoryl]pentane

1-[bromo(pentyl)phosphoryl]pentane (PubChem CID 139970522) has the molecular formula C10H22BrOP and a molecular weight of 269.16 g/mol. Its IUPAC name is 1-[bromo(pentyl)phosphoryl]pentane.

Molecular Properties

Compound Name1-[bromo(pentyl)phosphoryl]pentane
PubChem CID139970522
Molecular FormulaC10H22BrOP
Molecular Weight269.16 g/mol
Exact Mass268.06
IUPAC Name1-[bromo(pentyl)phosphoryl]pentane
SMILESCCCCCP(=O)(Br)CCCCC
InChIInChI=1S/C10H22BrOP/c1-3-5-7-9-13(11,12)10-8-6-4-2/h3-10H2,1-2H3
InChIKeyGNMUQRJNBHMQBG-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.16
LogP ≤ 55.04
H-Bond Donors ≤ 50
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

1-didodecylphosphoryldodecane
CID 12543829
1-dihexylphosphorylhexane;1-dioctylphosphoryloctane
CID 121237547
1-[methyl-[methyl(tetradecyl)phosphoryl]oxyphosphoryl]tetradecane
CID 54423327
aluminum tris(dipentylphosphinate)
CID 175031786
bis(dipentylphosphinate);nickel(2+)
CID 22743871
dioxido-oxo-tridecyl-λ5-phosphane
CID 23340102
1-[amino(octyl)phosphoryl]octane
CID 87396731
hexylphosphonic acid;octylphosphonic acid
CID 155346901
azane;pentylphosphonic acid
CID 173073704
CID 86733794
CID 86733794
cadmium(2+);dioxido-oxo-tridecyl-λ5-phosphane
CID 23340104
octadecylphosphonic acid;zirconium
CID 87308115

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(pentyl)phosphoryl]pentane?
The IUPAC name of 1-[bromo(pentyl)phosphoryl]pentane (CID 139970522) is 1-[bromo(pentyl)phosphoryl]pentane.
What is the SMILES notation for 1-[bromo(pentyl)phosphoryl]pentane?
The canonical SMILES for 1-[bromo(pentyl)phosphoryl]pentane is CCCCCP(=O)(Br)CCCCC.
What is the InChIKey of 1-[bromo(pentyl)phosphoryl]pentane?
The InChIKey is GNMUQRJNBHMQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrOP/c1-3-5-7-9-13(11,12)10-8-6-4-2/h3-10H2,1-2H3.
What are the key properties of 1-[bromo(pentyl)phosphoryl]pentane?
1-[bromo(pentyl)phosphoryl]pentane has a molecular weight of 269.16 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(pentyl)phosphoryl]pentane is sourced from PubChem (CID 139970522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).