2-bromo-5-butyl-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide

C9H18BrO3P — CID 154089872

IUPAC2-bromo-5-butyl-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCCCC1(CC)COP(=O)(Br)OC1
InChIInChI=1S/C9H18BrO3P/c1-3-5-6-9(4-2)7-12-14(10,11)13-8-9/h3-8H2,1-2H3
InChIKeyXHHYRJFHHZKIJT-UHFFFAOYSA-N
MW285.12 g/mol
LogP4.12
Rot. Bonds4

About 2-bromo-5-butyl-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide

2-bromo-5-butyl-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 154089872) has the molecular formula C9H18BrO3P and a molecular weight of 285.12 g/mol. Its IUPAC name is 2-bromo-5-butyl-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-bromo-5-butyl-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID154089872
Molecular FormulaC9H18BrO3P
Molecular Weight285.12 g/mol
Exact Mass284.02
IUPAC Name2-bromo-5-butyl-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCCCC1(CC)COP(=O)(Br)OC1
InChIInChI=1S/C9H18BrO3P/c1-3-5-6-9(4-2)7-12-14(10,11)13-8-9/h3-8H2,1-2H3
InChIKeyXHHYRJFHHZKIJT-UHFFFAOYSA-N
XLogP4.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-5-butyl-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-butyl-2-chloro-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 154088064
1-(5-butyl-5-ethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one
CID 23002154
2-bromo-5,5-bis(bromomethyl)-1,3,2λ5-dioxaphosphinane 2-oxide
CID 71390235
5-butyl-5-ethyl-2-methyl-1,3,2-dioxaborinane
CID 140802598
4-butyl-4-ethyloxane
CID 89395620
5,5-dibutyl-1,3-dioxane
CID 139570230
ethane;1-ethyl-1-hexylcyclopropane
CID 143025428
4-(3-ethyloxetan-3-yl)butylsilane
CID 174117398
2-(5-butyl-5-ethyl-2-methyl-1,3-dioxan-2-yl)butanoate
CID 57359530
6-(3-butyloxetan-3-yl)hexan-1-ol
CID 68636171
3-decyl-3-ethylazetidine
CID 79451957
4,4-di(nonyl)oxolan-2-one
CID 139783002

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-butyl-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-bromo-5-butyl-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 154089872) is 2-bromo-5-butyl-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-bromo-5-butyl-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-bromo-5-butyl-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide is CCCCC1(CC)COP(=O)(Br)OC1.
What is the InChIKey of 2-bromo-5-butyl-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is XHHYRJFHHZKIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrO3P/c1-3-5-6-9(4-2)7-12-14(10,11)13-8-9/h3-8H2,1-2H3.
What are the key properties of 2-bromo-5-butyl-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
2-bromo-5-butyl-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 285.12 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-butyl-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 154089872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).