cyclohexanone;ethoxyethane;ethyl acetate;propane-1,2-diol

C17H36O6 — CID 69101208

IUPACcyclohexanone;ethoxyethane;ethyl acetate;propane-1,2-diol
SMILESCC(O)CO.CCOC(C)=O.CCOCC.O=C1CCCCC1
InChIInChI=1S/C6H10O.C4H8O2.C4H10O.C3H8O2/c7-6-4-2-1-3-5-6;1-3-6-4(2)5;1-3-5-4-2;1-3(5)2-4/h1-5H2;3H2,1-2H3;3-4H2,1-2H3;3-5H,2H2,1H3
InChIKeyBKCBPLGVJGZFFY-UHFFFAOYSA-N
MW336.47 g/mol
LogP2.49
Rot. Bonds4

About cyclohexanone;ethoxyethane;ethyl acetate;propane-1,2-diol

cyclohexanone;ethoxyethane;ethyl acetate;propane-1,2-diol (PubChem CID 69101208) has the molecular formula C17H36O6 and a molecular weight of 336.47 g/mol. Its IUPAC name is cyclohexanone;ethoxyethane;ethyl acetate;propane-1,2-diol.

Molecular Properties

Compound Namecyclohexanone;ethoxyethane;ethyl acetate;propane-1,2-diol
PubChem CID69101208
Molecular FormulaC17H36O6
Molecular Weight336.47 g/mol
Exact Mass336.25
IUPAC Namecyclohexanone;ethoxyethane;ethyl acetate;propane-1,2-diol
SMILESCC(O)CO.CCOC(C)=O.CCOCC.O=C1CCCCC1
InChIInChI=1S/C6H10O.C4H8O2.C4H10O.C3H8O2/c7-6-4-2-1-3-5-6;1-3-6-4(2)5;1-3-5-4-2;1-3(5)2-4/h1-5H2;3H2,1-2H3;3-4H2,1-2H3;3-5H,2H2,1H3
InChIKeyBKCBPLGVJGZFFY-UHFFFAOYSA-N
XLogP2.49
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclohexanone;ethoxyethane;ethyl acetate;propane-1,2-diol?
The IUPAC name of cyclohexanone;ethoxyethane;ethyl acetate;propane-1,2-diol (CID 69101208) is cyclohexanone;ethoxyethane;ethyl acetate;propane-1,2-diol.
What is the SMILES notation for cyclohexanone;ethoxyethane;ethyl acetate;propane-1,2-diol?
The canonical SMILES for cyclohexanone;ethoxyethane;ethyl acetate;propane-1,2-diol is CC(O)CO.CCOC(C)=O.CCOCC.O=C1CCCCC1.
What is the InChIKey of cyclohexanone;ethoxyethane;ethyl acetate;propane-1,2-diol?
The InChIKey is BKCBPLGVJGZFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C4H8O2.C4H10O.C3H8O2/c7-6-4-2-1-3-5-6;1-3-6-4(2)5;1-3-5-4-2;1-3(5)2-4/h1-5H2;3H2,1-2H3;3-4H2,1-2H3;3-5H,2H2,1H3.
What are the key properties of cyclohexanone;ethoxyethane;ethyl acetate;propane-1,2-diol?
cyclohexanone;ethoxyethane;ethyl acetate;propane-1,2-diol has a molecular weight of 336.47 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone;ethoxyethane;ethyl acetate;propane-1,2-diol is sourced from PubChem (CID 69101208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).