2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide

C8H17O4P — CID 141410723

IUPAC2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCCCCOCCP1(=O)OCCO1
InChIInChI=1S/C8H17O4P/c1-2-3-4-10-7-8-13(9)11-5-6-12-13/h2-8H2,1H3
InChIKeyFOQHBISDRCPHOU-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.04
Rot. Bonds6

About 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide

2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 141410723) has the molecular formula C8H17O4P and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID141410723
Molecular FormulaC8H17O4P
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCCCCOCCP1(=O)OCCO1
InChIInChI=1S/C8H17O4P/c1-2-3-4-10-7-8-13(9)11-5-6-12-13/h2-8H2,1H3
InChIKeyFOQHBISDRCPHOU-UHFFFAOYSA-N
XLogP2.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-butoxybutane;oxane
CID 22595543
1,4-dioxane;1-pentoxypentane
CID 174356603
aluminum;1-butoxybutane;hydride
CID 174684135
1-butoxybutane;methoxymethane
CID 18401298
1-butoxybutane;propan-2-one
CID 18424800
1-butoxybutane;2-methyloxirane;oxirane
CID 129186869
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1-butoxypentane;niobium
CID 175363169
azane;1-propoxybutane
CID 87292575
1-butoxybutane;N-methylmethanamine
CID 88830911
1-butoxybutane;1-octadecoxyoctadecane
CID 174669460
1,10-bis(2-butoxyethoxy)decane
CID 90257337

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide (CID 141410723) is 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide is CCCCOCCP1(=O)OCCO1.
What is the InChIKey of 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is FOQHBISDRCPHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4P/c1-2-3-4-10-7-8-13(9)11-5-6-12-13/h2-8H2,1H3.
What are the key properties of 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide?
2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 208.19 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 141410723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).