cyclohexanone;2-methoxyethyl propanoate;prop-1-ene

C15H28O4 — CID 69101146

IUPACcyclohexanone;2-methoxyethyl propanoate;prop-1-ene
SMILESC=CC.CCC(=O)OCCOC.O=C1CCCCC1
InChIInChI=1S/C6H12O3.C6H10O.C3H6/c1-3-6(7)9-5-4-8-2;7-6-4-2-1-3-5-6;1-3-2/h3-5H2,1-2H3;1-5H2;3H,1H2,2H3
InChIKeyKJQGPCXTJWJGOZ-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.30
Rot. Bonds4

About cyclohexanone;2-methoxyethyl propanoate;prop-1-ene

cyclohexanone;2-methoxyethyl propanoate;prop-1-ene (PubChem CID 69101146) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is cyclohexanone;2-methoxyethyl propanoate;prop-1-ene.

Molecular Properties

Compound Namecyclohexanone;2-methoxyethyl propanoate;prop-1-ene
PubChem CID69101146
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Namecyclohexanone;2-methoxyethyl propanoate;prop-1-ene
SMILESC=CC.CCC(=O)OCCOC.O=C1CCCCC1
InChIInChI=1S/C6H12O3.C6H10O.C3H6/c1-3-6(7)9-5-4-8-2;7-6-4-2-1-3-5-6;1-3-2/h3-5H2,1-2H3;1-5H2;3H,1H2,2H3
InChIKeyKJQGPCXTJWJGOZ-UHFFFAOYSA-N
XLogP3.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane
CID 174822719
2-methoxyethyl butanoate;tris(prop-1-ene)
CID 173481556
butan-2-one;cycloheptanone
CID 174930229
2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921
2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene)
CID 173476509
2-aminoethyl propanoate;cyclopropane
CID 174936306
cyclohexanone;ethyl 2-oxoacetate
CID 88772549
cyclohexanone;ethanol
CID 66906383
1,2-dimethoxyethane;tris(prop-1-ene)
CID 159658676
chloroethene;propyl propanoate
CID 174975426
14-propanoyloxytetradecyl propanoate
CID 100931915
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595

Frequently Asked Questions

What is the IUPAC name of cyclohexanone;2-methoxyethyl propanoate;prop-1-ene?
The IUPAC name of cyclohexanone;2-methoxyethyl propanoate;prop-1-ene (CID 69101146) is cyclohexanone;2-methoxyethyl propanoate;prop-1-ene.
What is the SMILES notation for cyclohexanone;2-methoxyethyl propanoate;prop-1-ene?
The canonical SMILES for cyclohexanone;2-methoxyethyl propanoate;prop-1-ene is C=CC.CCC(=O)OCCOC.O=C1CCCCC1.
What is the InChIKey of cyclohexanone;2-methoxyethyl propanoate;prop-1-ene?
The InChIKey is KJQGPCXTJWJGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C6H10O.C3H6/c1-3-6(7)9-5-4-8-2;7-6-4-2-1-3-5-6;1-3-2/h3-5H2,1-2H3;1-5H2;3H,1H2,2H3.
What are the key properties of cyclohexanone;2-methoxyethyl propanoate;prop-1-ene?
cyclohexanone;2-methoxyethyl propanoate;prop-1-ene has a molecular weight of 272.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone;2-methoxyethyl propanoate;prop-1-ene is sourced from PubChem (CID 69101146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).