(4-bromo-4-ethylhexyl)-dioxido-oxo-λ5-phosphane

C8H16BrO3P-2 — CID 57375151

IUPAC(4-bromo-4-ethylhexyl)-dioxido-oxo-λ5-phosphane
SMILESCCC(Br)(CC)CCCP(=O)([O-])[O-]
InChIInChI=1S/C8H18BrO3P/c1-3-8(9,4-2)6-5-7-13(10,11)12/h3-7H2,1-2H3,(H2,10,11,12)/p-2
InChIKeyAXJNMANAFODSRF-UHFFFAOYSA-L
MW271.09 g/mol
LogP1.63
Rot. Bonds6

About (4-bromo-4-ethylhexyl)-dioxido-oxo-λ5-phosphane

(4-bromo-4-ethylhexyl)-dioxido-oxo-λ5-phosphane (PubChem CID 57375151) has the molecular formula C8H16BrO3P-2 and a molecular weight of 271.09 g/mol. Its IUPAC name is (4-bromo-4-ethylhexyl)-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Name(4-bromo-4-ethylhexyl)-dioxido-oxo-λ5-phosphane
PubChem CID57375151
Molecular FormulaC8H16BrO3P-2
Molecular Weight271.09 g/mol
Exact Mass270.00
IUPAC Name(4-bromo-4-ethylhexyl)-dioxido-oxo-λ5-phosphane
SMILESCCC(Br)(CC)CCCP(=O)([O-])[O-]
InChIInChI=1S/C8H18BrO3P/c1-3-8(9,4-2)6-5-7-13(10,11)12/h3-7H2,1-2H3,(H2,10,11,12)/p-2
InChIKeyAXJNMANAFODSRF-UHFFFAOYSA-L
XLogP1.63
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-4-ethylhexyl)-dioxido-oxo-λ5-phosphane?
The IUPAC name of (4-bromo-4-ethylhexyl)-dioxido-oxo-λ5-phosphane (CID 57375151) is (4-bromo-4-ethylhexyl)-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for (4-bromo-4-ethylhexyl)-dioxido-oxo-λ5-phosphane?
The canonical SMILES for (4-bromo-4-ethylhexyl)-dioxido-oxo-λ5-phosphane is CCC(Br)(CC)CCCP(=O)([O-])[O-].
What is the InChIKey of (4-bromo-4-ethylhexyl)-dioxido-oxo-λ5-phosphane?
The InChIKey is AXJNMANAFODSRF-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H18BrO3P/c1-3-8(9,4-2)6-5-7-13(10,11)12/h3-7H2,1-2H3,(H2,10,11,12)/p-2.
What are the key properties of (4-bromo-4-ethylhexyl)-dioxido-oxo-λ5-phosphane?
(4-bromo-4-ethylhexyl)-dioxido-oxo-λ5-phosphane has a molecular weight of 271.09 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-4-ethylhexyl)-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 57375151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).