2-(2,2-dimethylpropoxy)-1,3,2-dioxaphosphinane

C8H17O3P — CID 14740300

IUPAC2-(2,2-dimethylpropoxy)-1,3,2-dioxaphosphinane
SMILESCC(C)(C)COP1OCCCO1
InChIInChI=1S/C8H17O3P/c1-8(2,3)7-11-12-9-5-4-6-10-12/h4-7H2,1-3H3
InChIKeyNAYVIBREDOPRKW-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.71
Rot. Bonds2

About 2-(2,2-dimethylpropoxy)-1,3,2-dioxaphosphinane

2-(2,2-dimethylpropoxy)-1,3,2-dioxaphosphinane (PubChem CID 14740300) has the molecular formula C8H17O3P and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)-1,3,2-dioxaphosphinane
PubChem CID14740300
Molecular FormulaC8H17O3P
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Name2-(2,2-dimethylpropoxy)-1,3,2-dioxaphosphinane
SMILESCC(C)(C)COP1OCCCO1
InChIInChI=1S/C8H17O3P/c1-8(2,3)7-11-12-9-5-4-6-10-12/h4-7H2,1-3H3
InChIKeyNAYVIBREDOPRKW-UHFFFAOYSA-N
XLogP2.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxy)-1,3,2-dioxaphosphinane?
The IUPAC name of 2-(2,2-dimethylpropoxy)-1,3,2-dioxaphosphinane (CID 14740300) is 2-(2,2-dimethylpropoxy)-1,3,2-dioxaphosphinane.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)-1,3,2-dioxaphosphinane?
The canonical SMILES for 2-(2,2-dimethylpropoxy)-1,3,2-dioxaphosphinane is CC(C)(C)COP1OCCCO1.
What is the InChIKey of 2-(2,2-dimethylpropoxy)-1,3,2-dioxaphosphinane?
The InChIKey is NAYVIBREDOPRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O3P/c1-8(2,3)7-11-12-9-5-4-6-10-12/h4-7H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropoxy)-1,3,2-dioxaphosphinane?
2-(2,2-dimethylpropoxy)-1,3,2-dioxaphosphinane has a molecular weight of 192.19 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)-1,3,2-dioxaphosphinane is sourced from PubChem (CID 14740300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).