2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

C9H19O3P — CID 23261978

IUPAC2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC1(C)COP(=O)(C(C)(C)C)OC1
InChIInChI=1S/C9H19O3P/c1-8(2,3)13(10)11-6-9(4,5)7-12-13/h6-7H2,1-5H3
InChIKeySUFDIIAWUASKBN-UHFFFAOYSA-N
MW206.22 g/mol
LogP3.05
Rot. Bonds

About 2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 23261978) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID23261978
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Name2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC1(C)COP(=O)(C(C)(C)C)OC1
InChIInChI=1S/C9H19O3P/c1-8(2,3)13(10)11-6-9(4,5)7-12-13/h6-7H2,1-5H3
InChIKeySUFDIIAWUASKBN-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide
CID 70121
1,3,2-Dioxaphosphorinane, 2-chloro-5,5-dimethyl-, 2-oxide
CID 77716
(5-Ethyl-2-methyl-2-oxido-1,3,2-dioxaphosphinan-5-yl)methyl methyl methylphosphonate
CID 94516
1,3,2-Dioxaphosphorinane, 5,5-dimethyl-, 2-oxide
CID 6335186
2-Methyl-1,3,2-dioxaphosphorinane 2-oxide
CID 397386
1,3,2-Dioxaphosphorinane, 2-methoxy-5,5-dimethyl-, 2-oxide
CID 371769
2-[(5,5-Dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinan-2-one
CID 2778008
Methylphosphonic acid, neopentyl, methyl ester
CID 91752261
Agn-PC-006iws
CID 11310601
Diethyl tert-butylphosphonate
CID 88313
2-Ethyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 14892817
2-Ethoxy-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinan-2-one
CID 271727

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 23261978) is 2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is CC1(C)COP(=O)(C(C)(C)C)OC1.
What is the InChIKey of 2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is SUFDIIAWUASKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O3P/c1-8(2,3)13(10)11-6-9(4,5)7-12-13/h6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 206.22 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 23261978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).