2-(1-methoxyethoxy)ethyl 4-cyclohexylbutanoate

C15H28O4 — CID 20729087

IUPAC2-(1-methoxyethoxy)ethyl 4-cyclohexylbutanoate
SMILESCOC(C)OCCOC(=O)CCCC1CCCCC1
InChIInChI=1S/C15H28O4/c1-13(17-2)18-11-12-19-15(16)10-6-9-14-7-4-3-5-8-14/h13-14H,3-12H2,1-2H3
InChIKeyZTQHJCDLANPCAM-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.29
Rot. Bonds9

About 2-(1-methoxyethoxy)ethyl 4-cyclohexylbutanoate

2-(1-methoxyethoxy)ethyl 4-cyclohexylbutanoate (PubChem CID 20729087) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-(1-methoxyethoxy)ethyl 4-cyclohexylbutanoate.

Molecular Properties

Compound Name2-(1-methoxyethoxy)ethyl 4-cyclohexylbutanoate
PubChem CID20729087
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name2-(1-methoxyethoxy)ethyl 4-cyclohexylbutanoate
SMILESCOC(C)OCCOC(=O)CCCC1CCCCC1
InChIInChI=1S/C15H28O4/c1-13(17-2)18-11-12-19-15(16)10-6-9-14-7-4-3-5-8-14/h13-14H,3-12H2,1-2H3
InChIKeyZTQHJCDLANPCAM-UHFFFAOYSA-N
XLogP3.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-Cyclohexylcarbonyloxy-1,4-dioxan-2-yl cyclohexanecarboxylate
CID 3110574
Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 15700391
Methyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 20711792
2-(1-Ethylpentyl)-1,3-dioxan-5-yl laurate
CID 16206193
1-(2-Cyclohexylacetyl)oxyethyl 2,2,2-trifluoroacetate
CID 139665474
Methyl 4-(1,3-dioxan-2-yl)cyclohexane-1-carboxylate
CID 11379181
2-Propanoyloxyethyl 2-(3-methylcyclohexyl)propanoate
CID 142609759
2-Propanoyloxyethyl 2-cyclohexylpropanoate
CID 142609761
Ethyl 3-(diethoxymethyl)heptanoate
CID 12859643
1,4-Dioxan-2-yl octanoate
CID 122377398
Methyl cis-3-ethyl oxirane octanoate
CID 129887351
Ethyl 4-[2-(1,3-dioxan-2-yl)ethyl]cyclohexane-1-carboxylate
CID 176434454

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethoxy)ethyl 4-cyclohexylbutanoate?
The IUPAC name of 2-(1-methoxyethoxy)ethyl 4-cyclohexylbutanoate (CID 20729087) is 2-(1-methoxyethoxy)ethyl 4-cyclohexylbutanoate.
What is the SMILES notation for 2-(1-methoxyethoxy)ethyl 4-cyclohexylbutanoate?
The canonical SMILES for 2-(1-methoxyethoxy)ethyl 4-cyclohexylbutanoate is COC(C)OCCOC(=O)CCCC1CCCCC1.
What is the InChIKey of 2-(1-methoxyethoxy)ethyl 4-cyclohexylbutanoate?
The InChIKey is ZTQHJCDLANPCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-13(17-2)18-11-12-19-15(16)10-6-9-14-7-4-3-5-8-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-(1-methoxyethoxy)ethyl 4-cyclohexylbutanoate?
2-(1-methoxyethoxy)ethyl 4-cyclohexylbutanoate has a molecular weight of 272.38 g/mol, XLogP of 3.29, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethoxy)ethyl 4-cyclohexylbutanoate is sourced from PubChem (CID 20729087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).