2-butoxy-5,5-dimethyl-1,3,2-dioxaphosphinane

C9H19O3P — CID 549749

IUPAC2-butoxy-5,5-dimethyl-1,3,2-dioxaphosphinane
SMILESCCCCOP1OCC(C)(C)CO1
InChIInChI=1S/C9H19O3P/c1-4-5-6-10-13-11-7-9(2,3)8-12-13/h4-8H2,1-3H3
InChIKeyDZUXGIPSTYELHK-UHFFFAOYSA-N
MW206.22 g/mol
LogP3.10
Rot. Bonds4

About 2-butoxy-5,5-dimethyl-1,3,2-dioxaphosphinane

2-butoxy-5,5-dimethyl-1,3,2-dioxaphosphinane (PubChem CID 549749) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-butoxy-5,5-dimethyl-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name2-butoxy-5,5-dimethyl-1,3,2-dioxaphosphinane
PubChem CID549749
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Name2-butoxy-5,5-dimethyl-1,3,2-dioxaphosphinane
SMILESCCCCOP1OCC(C)(C)CO1
InChIInChI=1S/C9H19O3P/c1-4-5-6-10-13-11-7-9(2,3)8-12-13/h4-8H2,1-3H3
InChIKeyDZUXGIPSTYELHK-UHFFFAOYSA-N
XLogP3.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane
CID 591931
3-hexadecoxy-9-methoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 70884461
2-(2-chloroheptoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane
CID 23280586
2-[2,2-bis(chloromethyl)-3-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]propoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane
CID 143058585
2-butoxy-5,5-dimethyl-1,3,2-dioxaborinane
CID 86061964
1-(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)propan-1-one
CID 173414736
3-ethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 88915075
(2,4-ditert-butyl-6-methylphenoxy)-ethoxyphosphane;3,9-dioctadecoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 160957022
2-[2-(1,3,2-dioxaphospholan-2-yloxy)ethoxy]-4,4,5,5-tetramethyl-1,3,2-dioxaphospholane
CID 23280390
4-octadecoxy-1,3,2,4-dioxatelluraphosphetane
CID 153406163
octadecyl 3-[3,5-ditert-butyl-4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]phenyl]propanoate
CID 70403009
3-(2-butoxyethyl)-9-(2-methoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 21491469

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5,5-dimethyl-1,3,2-dioxaphosphinane?
The IUPAC name of 2-butoxy-5,5-dimethyl-1,3,2-dioxaphosphinane (CID 549749) is 2-butoxy-5,5-dimethyl-1,3,2-dioxaphosphinane.
What is the SMILES notation for 2-butoxy-5,5-dimethyl-1,3,2-dioxaphosphinane?
The canonical SMILES for 2-butoxy-5,5-dimethyl-1,3,2-dioxaphosphinane is CCCCOP1OCC(C)(C)CO1.
What is the InChIKey of 2-butoxy-5,5-dimethyl-1,3,2-dioxaphosphinane?
The InChIKey is DZUXGIPSTYELHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O3P/c1-4-5-6-10-13-11-7-9(2,3)8-12-13/h4-8H2,1-3H3.
What are the key properties of 2-butoxy-5,5-dimethyl-1,3,2-dioxaphosphinane?
2-butoxy-5,5-dimethyl-1,3,2-dioxaphosphinane has a molecular weight of 206.22 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5,5-dimethyl-1,3,2-dioxaphosphinane is sourced from PubChem (CID 549749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).