1-(5-butyl-5-ethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one

C14H27O4P — CID 23002154

IUPAC1-(5-butyl-5-ethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one
SMILESCCCCC1(CC)COP(=O)(C(=O)C(C)(C)C)OC1
InChIInChI=1S/C14H27O4P/c1-6-8-9-14(7-2)10-17-19(16,18-11-14)12(15)13(3,4)5/h6-11H2,1-5H3
InChIKeyJRHLVMOTPHZSHI-UHFFFAOYSA-N
MW290.34 g/mol
LogP4.39
Rot. Bonds5

About 1-(5-butyl-5-ethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one

1-(5-butyl-5-ethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 23002154) has the molecular formula C14H27O4P and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(5-butyl-5-ethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(5-butyl-5-ethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one
PubChem CID23002154
Molecular FormulaC14H27O4P
Molecular Weight290.34 g/mol
Exact Mass290.16
IUPAC Name1-(5-butyl-5-ethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one
SMILESCCCCC1(CC)COP(=O)(C(=O)C(C)(C)C)OC1
InChIInChI=1S/C14H27O4P/c1-6-8-9-14(7-2)10-17-19(16,18-11-14)12(15)13(3,4)5/h6-11H2,1-5H3
InChIKeyJRHLVMOTPHZSHI-UHFFFAOYSA-N
XLogP4.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5-butyl-5-ethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

5-butyl-2-chloro-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 154088064
2-bromo-5-butyl-5-ethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 154089872
5-butyl-5-ethyl-2-methyl-1,3,2-dioxaborinane
CID 140802598
2-(5-butyl-5-ethyl-2-methyl-1,3-dioxan-2-yl)butanoate
CID 57359530
1-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one
CID 23002195
6-(3-butyloxetan-3-yl)hexan-1-ol
CID 68636171
4-butyl-4-ethyloxane
CID 89395620
methyl 2-butyloxirane-2-carboxylate
CID 18471262
1-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)pentan-1-one
CID 141060465
ethane;1-ethyl-1-hexylcyclopropane
CID 143025428
5,5-dibutyl-1,3-dioxane
CID 139570230
4-(3-ethyloxetan-3-yl)butylsilane
CID 174117398

Frequently Asked Questions

What is the IUPAC name of 1-(5-butyl-5-ethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(5-butyl-5-ethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one (CID 23002154) is 1-(5-butyl-5-ethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(5-butyl-5-ethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(5-butyl-5-ethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one is CCCCC1(CC)COP(=O)(C(=O)C(C)(C)C)OC1.
What is the InChIKey of 1-(5-butyl-5-ethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is JRHLVMOTPHZSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O4P/c1-6-8-9-14(7-2)10-17-19(16,18-11-14)12(15)13(3,4)5/h6-11H2,1-5H3.
What are the key properties of 1-(5-butyl-5-ethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one?
1-(5-butyl-5-ethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 290.34 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butyl-5-ethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 23002154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).