4-tert-butyl-6-ethyl-1,3,2-dioxaphosphinane

C9H19O2P — CID 152925484

IUPAC4-tert-butyl-6-ethyl-1,3,2-dioxaphosphinane
SMILESCCC1CC(C(C)(C)C)OPO1
InChIInChI=1S/C9H19O2P/c1-5-7-6-8(9(2,3)4)11-12-10-7/h7-8,12H,5-6H2,1-4H3
InChIKeyUJXRLMJRFZNVIA-UHFFFAOYSA-N
MW190.22 g/mol
LogP3.13
Rot. Bonds1

About 4-tert-butyl-6-ethyl-1,3,2-dioxaphosphinane

4-tert-butyl-6-ethyl-1,3,2-dioxaphosphinane (PubChem CID 152925484) has the molecular formula C9H19O2P and a molecular weight of 190.22 g/mol. Its IUPAC name is 4-tert-butyl-6-ethyl-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name4-tert-butyl-6-ethyl-1,3,2-dioxaphosphinane
PubChem CID152925484
Molecular FormulaC9H19O2P
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name4-tert-butyl-6-ethyl-1,3,2-dioxaphosphinane
SMILESCCC1CC(C(C)(C)C)OPO1
InChIInChI=1S/C9H19O2P/c1-5-7-6-8(9(2,3)4)11-12-10-7/h7-8,12H,5-6H2,1-4H3
InChIKeyUJXRLMJRFZNVIA-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,6S)-4-tert-butyl-6-[[(4S,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane
CID 57409305
4-ethyloxetan-2-ol
CID 151879220
tetrakis(2-ethyloxirane);methane
CID 162010408
4,5-diethyl-1,3,2,4-dioxaphosphasilolane
CID 123419615
2-[(2R,6S)-6-tert-butyloxan-2-yl]ethanol
CID 130978706
2-tert-butyl-5-ethylmorpholine
CID 43366876
1,3-ditert-butyl-5-ethylcyclohexane
CID 123167626
2-tert-butyl-1,3-dioxolane;2-tert-butyl-4-ethyl-1,3-dioxolane
CID 157177616
(2R,4S)-2-tert-butyloxan-4-amine
CID 95335740
(2R,4R)-2-ethyloxan-4-amine
CID 82651052
[(2R,5R)-5-tert-butyloxolan-2-yl]methanol
CID 14506377
(3S,5R)-5-ethyl-3-(2-trimethylsilyloxypropan-2-yl)oxolan-2-one
CID 158878299

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-ethyl-1,3,2-dioxaphosphinane?
The IUPAC name of 4-tert-butyl-6-ethyl-1,3,2-dioxaphosphinane (CID 152925484) is 4-tert-butyl-6-ethyl-1,3,2-dioxaphosphinane.
What is the SMILES notation for 4-tert-butyl-6-ethyl-1,3,2-dioxaphosphinane?
The canonical SMILES for 4-tert-butyl-6-ethyl-1,3,2-dioxaphosphinane is CCC1CC(C(C)(C)C)OPO1.
What is the InChIKey of 4-tert-butyl-6-ethyl-1,3,2-dioxaphosphinane?
The InChIKey is UJXRLMJRFZNVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O2P/c1-5-7-6-8(9(2,3)4)11-12-10-7/h7-8,12H,5-6H2,1-4H3.
What are the key properties of 4-tert-butyl-6-ethyl-1,3,2-dioxaphosphinane?
4-tert-butyl-6-ethyl-1,3,2-dioxaphosphinane has a molecular weight of 190.22 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-ethyl-1,3,2-dioxaphosphinane is sourced from PubChem (CID 152925484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).