1-(2-phosphorosooxyethoxy)butane

C6H13O3P — CID 54124788

IUPAC1-(2-phosphorosooxyethoxy)butane
SMILESCCCCOCCOP=O
InChIInChI=1S/C6H13O3P/c1-2-3-4-8-5-6-9-10-7/h2-6H2,1H3
InChIKeyNQEMBIUCCWWTQR-UHFFFAOYSA-N
MW164.14 g/mol
LogP2.03
Rot. Bonds7

About 1-(2-phosphorosooxyethoxy)butane

1-(2-phosphorosooxyethoxy)butane (PubChem CID 54124788) has the molecular formula C6H13O3P and a molecular weight of 164.14 g/mol. Its IUPAC name is 1-(2-phosphorosooxyethoxy)butane.

Molecular Properties

Compound Name1-(2-phosphorosooxyethoxy)butane
PubChem CID54124788
Molecular FormulaC6H13O3P
Molecular Weight164.14 g/mol
Exact Mass164.06
IUPAC Name1-(2-phosphorosooxyethoxy)butane
SMILESCCCCOCCOP=O
InChIInChI=1S/C6H13O3P/c1-2-3-4-8-5-6-9-10-7/h2-6H2,1H3
InChIKeyNQEMBIUCCWWTQR-UHFFFAOYSA-N
XLogP2.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 52.03
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

1-phosphorosooxybutane;propane
CID 88827784
1-phosphorosooxyoctadecane
CID 23002272
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1,10-bis(2-butoxyethoxy)decane
CID 90257337
sodium;hydride;1-phosphorosooxypentane
CID 173010911
sodium;hydride;1-phosphorosooxyoctane
CID 173400721
ethane;1-(2-propoxyethoxy)butane
CID 164535746
aluminum;1-butoxybutane;hydride
CID 174684135
1-butoxybutane;methoxymethane
CID 18401298
1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
CID 174801496
1-butoxybutane;propan-2-one
CID 18424800
butane;pentane;1-propoxybutane;1-(2-propoxyethoxy)butane
CID 167680049

Frequently Asked Questions

What is the IUPAC name of 1-(2-phosphorosooxyethoxy)butane?
The IUPAC name of 1-(2-phosphorosooxyethoxy)butane (CID 54124788) is 1-(2-phosphorosooxyethoxy)butane.
What is the SMILES notation for 1-(2-phosphorosooxyethoxy)butane?
The canonical SMILES for 1-(2-phosphorosooxyethoxy)butane is CCCCOCCOP=O.
What is the InChIKey of 1-(2-phosphorosooxyethoxy)butane?
The InChIKey is NQEMBIUCCWWTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3P/c1-2-3-4-8-5-6-9-10-7/h2-6H2,1H3.
What are the key properties of 1-(2-phosphorosooxyethoxy)butane?
1-(2-phosphorosooxyethoxy)butane has a molecular weight of 164.14 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phosphorosooxyethoxy)butane is sourced from PubChem (CID 54124788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).