2-(phosphorosomethoxy)butane

C5H11O2P — CID 22897799

IUPAC2-(phosphorosomethoxy)butane
SMILESCCC(C)OCP=O
InChIInChI=1S/C5H11O2P/c1-3-5(2)7-4-8-6/h5H,3-4H2,1-2H3
InChIKeyUEHNDNFFZODKPT-UHFFFAOYSA-N
MW134.11 g/mol
LogP2.05
Rot. Bonds4

About 2-(phosphorosomethoxy)butane

2-(phosphorosomethoxy)butane (PubChem CID 22897799) has the molecular formula C5H11O2P and a molecular weight of 134.11 g/mol. Its IUPAC name is 2-(phosphorosomethoxy)butane.

Molecular Properties

Compound Name2-(phosphorosomethoxy)butane
PubChem CID22897799
Molecular FormulaC5H11O2P
Molecular Weight134.11 g/mol
Exact Mass134.05
IUPAC Name2-(phosphorosomethoxy)butane
SMILESCCC(C)OCP=O
InChIInChI=1S/C5H11O2P/c1-3-5(2)7-4-8-6/h5H,3-4H2,1-2H3
InChIKeyUEHNDNFFZODKPT-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.11
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-butan-2-yl]oxyacetic acid
CID 92979817
1-butan-2-yloxypropan-2-yl formate
CID 139655513
1-butan-2-yloxy-N-(butan-2-yloxymethyl)-N-methylmethanamine
CID 54035623
1,3-di(butan-2-yloxy)propan-2-ol
CID 22072723
O-(butan-2-yloxymethyl)hydroxylamine
CID 130564339
ethane;2-(2-methoxyethoxy)butane
CID 168922397
2-butan-2-yloxybutane;ethanol
CID 88614162
2-amino-3-butan-2-yloxypropan-1-ol
CID 64808148
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
2-(methylperoxymethoxy)butane
CID 21334100
azane;2-butan-2-yloxybutane
CID 87187028
butan-2-yloxymercury
CID 144602861

Frequently Asked Questions

What is the IUPAC name of 2-(phosphorosomethoxy)butane?
The IUPAC name of 2-(phosphorosomethoxy)butane (CID 22897799) is 2-(phosphorosomethoxy)butane.
What is the SMILES notation for 2-(phosphorosomethoxy)butane?
The canonical SMILES for 2-(phosphorosomethoxy)butane is CCC(C)OCP=O.
What is the InChIKey of 2-(phosphorosomethoxy)butane?
The InChIKey is UEHNDNFFZODKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O2P/c1-3-5(2)7-4-8-6/h5H,3-4H2,1-2H3.
What are the key properties of 2-(phosphorosomethoxy)butane?
2-(phosphorosomethoxy)butane has a molecular weight of 134.11 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phosphorosomethoxy)butane is sourced from PubChem (CID 22897799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).