ethyl acetate;methylphosphane

C5H13O2P — CID 159252333

IUPACethyl acetate;methylphosphane
SMILESCCOC(C)=O.CP
InChIInChI=1S/C4H8O2.CH5P/c1-3-6-4(2)5;1-2/h3H2,1-2H3;2H2,1H3
InChIKeyKVLMKVXFRANQGD-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.06
Rot. Bonds1

About ethyl acetate;methylphosphane

ethyl acetate;methylphosphane (PubChem CID 159252333) has the molecular formula C5H13O2P and a molecular weight of 136.13 g/mol. Its IUPAC name is ethyl acetate;methylphosphane.

Molecular Properties

Compound Nameethyl acetate;methylphosphane
PubChem CID159252333
Molecular FormulaC5H13O2P
Molecular Weight136.13 g/mol
Exact Mass136.07
IUPAC Nameethyl acetate;methylphosphane
SMILESCCOC(C)=O.CP
InChIInChI=1S/C4H8O2.CH5P/c1-3-6-4(2)5;1-2/h3H2,1-2H3;2H2,1H3
InChIKeyKVLMKVXFRANQGD-UHFFFAOYSA-N
XLogP1.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.06
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

ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;hydroiodide
CID 159926796
ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;pentahydrate
CID 173286699
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679
CID 157409555
CID 157409555

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;methylphosphane?
The IUPAC name of ethyl acetate;methylphosphane (CID 159252333) is ethyl acetate;methylphosphane.
What is the SMILES notation for ethyl acetate;methylphosphane?
The canonical SMILES for ethyl acetate;methylphosphane is CCOC(C)=O.CP.
What is the InChIKey of ethyl acetate;methylphosphane?
The InChIKey is KVLMKVXFRANQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.CH5P/c1-3-6-4(2)5;1-2/h3H2,1-2H3;2H2,1H3.
What are the key properties of ethyl acetate;methylphosphane?
ethyl acetate;methylphosphane has a molecular weight of 136.13 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;methylphosphane is sourced from PubChem (CID 159252333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).