ethyl acetate;bis(propan-2-ol)

C10H24O4 — CID 87186921

IUPACethyl acetate;bis(propan-2-ol)
SMILESCC(C)O.CC(C)O.CCOC(C)=O
InChIInChI=1S/C4H8O2.2C3H8O/c1-3-6-4(2)5;2*1-3(2)4/h3H2,1-2H3;2*3-4H,1-2H3
InChIKeyNTKDCNGQGOYAOO-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.34
Rot. Bonds1

About ethyl acetate;bis(propan-2-ol)

ethyl acetate;bis(propan-2-ol) (PubChem CID 87186921) has the molecular formula C10H24O4 and a molecular weight of 208.30 g/mol. Its IUPAC name is ethyl acetate;bis(propan-2-ol).

Molecular Properties

Compound Nameethyl acetate;bis(propan-2-ol)
PubChem CID87186921
Molecular FormulaC10H24O4
Molecular Weight208.30 g/mol
Exact Mass208.17
IUPAC Nameethyl acetate;bis(propan-2-ol)
SMILESCC(C)O.CC(C)O.CCOC(C)=O
InChIInChI=1S/C4H8O2.2C3H8O/c1-3-6-4(2)5;2*1-3(2)4/h3H2,1-2H3;2*3-4H,1-2H3
InChIKeyNTKDCNGQGOYAOO-UHFFFAOYSA-N
XLogP1.34
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl acetate;bis(propan-2-ol) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl acetate;propan-2-ol;hydrate
CID 22041847
acetic acid;ethyl acetate;propan-2-ol
CID 23298224
ethyl acetate;ethyl hydrogen carbonate;propan-2-ol
CID 87097061
bis(butan-2-ol);ethyl acetate
CID 139558654
ethyl acetate;tetrahydrate
CID 173019761
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;hydroiodide
CID 159926796

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;bis(propan-2-ol)?
The IUPAC name of ethyl acetate;bis(propan-2-ol) (CID 87186921) is ethyl acetate;bis(propan-2-ol).
What is the SMILES notation for ethyl acetate;bis(propan-2-ol)?
The canonical SMILES for ethyl acetate;bis(propan-2-ol) is CC(C)O.CC(C)O.CCOC(C)=O.
What is the InChIKey of ethyl acetate;bis(propan-2-ol)?
The InChIKey is NTKDCNGQGOYAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.2C3H8O/c1-3-6-4(2)5;2*1-3(2)4/h3H2,1-2H3;2*3-4H,1-2H3.
What are the key properties of ethyl acetate;bis(propan-2-ol)?
ethyl acetate;bis(propan-2-ol) has a molecular weight of 208.30 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;bis(propan-2-ol) is sourced from PubChem (CID 87186921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).