2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-1-ol

C9H19O5P — CID 54307418

IUPAC2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-1-ol
SMILESCCC(CO)OP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C9H19O5P/c1-4-8(5-10)14-15(11)12-6-9(2,3)7-13-15/h8,10H,4-7H2,1-3H3
InChIKeySIMPVCSBEJQPIK-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.96
Rot. Bonds4

About 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-1-ol

2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-1-ol (PubChem CID 54307418) has the molecular formula C9H19O5P and a molecular weight of 238.22 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-1-ol.

Molecular Properties

Compound Name2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-1-ol
PubChem CID54307418
Molecular FormulaC9H19O5P
Molecular Weight238.22 g/mol
Exact Mass238.10
IUPAC Name2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-1-ol
SMILESCCC(CO)OP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C9H19O5P/c1-4-8(5-10)14-15(11)12-6-9(2,3)7-13-15/h8,10H,4-7H2,1-3H3
InChIKeySIMPVCSBEJQPIK-UHFFFAOYSA-N
XLogP1.96
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol
CID 18981617
2-[cyclohexyl-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 140535406
1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N,N-bis[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]methanamine
CID 102064719
ethyl 2-(2,5,5-trimethyl-1,3-dioxan-2-yl)butanoate
CID 15181700
5,5-dimethyl-2-(methylsulfanylmethyl)-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23415598
(2S)-2-ethoxybutan-1-ol
CID 89167253
ethane;2-methoxybutan-1-ol
CID 174440725
2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23261978
N-butyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
CID 10489160
2-[[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 164745931
2-[2-[bis(3-methylheptan-3-yloxy)phosphoryl]propan-2-yloxy]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 90814948
5,5-dimethyl-2-(7-oxoniabicyclo[4.1.0]heptan-3-ylmethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide
CID 163765168

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-1-ol?
The IUPAC name of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-1-ol (CID 54307418) is 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-1-ol.
What is the SMILES notation for 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-1-ol?
The canonical SMILES for 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-1-ol is CCC(CO)OP1(=O)OCC(C)(C)CO1.
What is the InChIKey of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-1-ol?
The InChIKey is SIMPVCSBEJQPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O5P/c1-4-8(5-10)14-15(11)12-6-9(2,3)7-13-15/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-1-ol?
2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-1-ol has a molecular weight of 238.22 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-1-ol is sourced from PubChem (CID 54307418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).