cyclohexanone;2-(2-methoxypropoxy)propan-1-ol

C13H26O4 — CID 129216839

IUPACcyclohexanone;2-(2-methoxypropoxy)propan-1-ol
SMILESCOC(C)COC(C)CO.O=C1CCCCC1
InChIInChI=1S/C7H16O3.C6H10O/c1-6(4-8)10-5-7(2)9-3;7-6-4-2-1-3-5-6/h6-8H,4-5H2,1-3H3;1-5H2
InChIKeyYJBCDXUKQFVBEL-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.94
Rot. Bonds5

About cyclohexanone;2-(2-methoxypropoxy)propan-1-ol

cyclohexanone;2-(2-methoxypropoxy)propan-1-ol (PubChem CID 129216839) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is cyclohexanone;2-(2-methoxypropoxy)propan-1-ol.

Molecular Properties

Compound Namecyclohexanone;2-(2-methoxypropoxy)propan-1-ol
PubChem CID129216839
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Namecyclohexanone;2-(2-methoxypropoxy)propan-1-ol
SMILESCOC(C)COC(C)CO.O=C1CCCCC1
InChIInChI=1S/C7H16O3.C6H10O/c1-6(4-8)10-5-7(2)9-3;7-6-4-2-1-3-5-6/h6-8H,4-5H2,1-3H3;1-5H2
InChIKeyYJBCDXUKQFVBEL-UHFFFAOYSA-N
XLogP1.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexanone;2-(2-methoxypropoxy)propan-1-ol?
The IUPAC name of cyclohexanone;2-(2-methoxypropoxy)propan-1-ol (CID 129216839) is cyclohexanone;2-(2-methoxypropoxy)propan-1-ol.
What is the SMILES notation for cyclohexanone;2-(2-methoxypropoxy)propan-1-ol?
The canonical SMILES for cyclohexanone;2-(2-methoxypropoxy)propan-1-ol is COC(C)COC(C)CO.O=C1CCCCC1.
What is the InChIKey of cyclohexanone;2-(2-methoxypropoxy)propan-1-ol?
The InChIKey is YJBCDXUKQFVBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3.C6H10O/c1-6(4-8)10-5-7(2)9-3;7-6-4-2-1-3-5-6/h6-8H,4-5H2,1-3H3;1-5H2.
What are the key properties of cyclohexanone;2-(2-methoxypropoxy)propan-1-ol?
cyclohexanone;2-(2-methoxypropoxy)propan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone;2-(2-methoxypropoxy)propan-1-ol is sourced from PubChem (CID 129216839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).