cyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane

C12H24O4 — CID 174822719

IUPACcyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane
SMILESCOCCOCCOC.O=C1CCCCC1
InChIInChI=1S/C6H14O3.C6H10O/c1-7-3-5-9-6-4-8-2;7-6-4-2-1-3-5-6/h3-6H2,1-2H3;1-5H2
InChIKeyNRJRGUGDSZZKHE-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.82
Rot. Bonds6

About cyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane

cyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane (PubChem CID 174822719) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is cyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane.

Molecular Properties

Compound Namecyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane
PubChem CID174822719
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Namecyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane
SMILESCOCCOCCOC.O=C1CCCCC1
InChIInChI=1S/C6H14O3.C6H10O/c1-7-3-5-9-6-4-8-2;7-6-4-2-1-3-5-6/h3-6H2,1-2H3;1-5H2
InChIKeyNRJRGUGDSZZKHE-UHFFFAOYSA-N
XLogP1.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-3-one
CID 104563220
cycloheptanone;cyclohexanone;cyclopentanone;ethane
CID 158721030
cyclotricosanone
CID 54375596
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-[3-(2-methoxyethoxy)propyl]piperidin-3-one
CID 103409853
cyclohexanone;2-methoxyethyl propanoate;prop-1-ene
CID 69101146
cyclopentanone;1-methoxypropan-2-ol
CID 141468485
4-[2-(2-methoxyethoxy)ethyl-methylamino]cyclohexan-1-one
CID 79120597
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
CID 173303266
CID 173303266

Frequently Asked Questions

What is the IUPAC name of cyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane?
The IUPAC name of cyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane (CID 174822719) is cyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane.
What is the SMILES notation for cyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane?
The canonical SMILES for cyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane is COCCOCCOC.O=C1CCCCC1.
What is the InChIKey of cyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane?
The InChIKey is NRJRGUGDSZZKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C6H10O/c1-7-3-5-9-6-4-8-2;7-6-4-2-1-3-5-6/h3-6H2,1-2H3;1-5H2.
What are the key properties of cyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane?
cyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane has a molecular weight of 232.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane is sourced from PubChem (CID 174822719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).