2-(1-methoxyethoxy)ethyl 3-cyclohexylpropanoate

C14H26O4 — CID 20729082

IUPAC2-(1-methoxyethoxy)ethyl 3-cyclohexylpropanoate
SMILESCOC(C)OCCOC(=O)CCC1CCCCC1
InChIInChI=1S/C14H26O4/c1-12(16-2)17-10-11-18-14(15)9-8-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3
InChIKeyJPTZEHSQMOORNN-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.90
Rot. Bonds8

About 2-(1-methoxyethoxy)ethyl 3-cyclohexylpropanoate

2-(1-methoxyethoxy)ethyl 3-cyclohexylpropanoate (PubChem CID 20729082) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(1-methoxyethoxy)ethyl 3-cyclohexylpropanoate.

Molecular Properties

Compound Name2-(1-methoxyethoxy)ethyl 3-cyclohexylpropanoate
PubChem CID20729082
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-(1-methoxyethoxy)ethyl 3-cyclohexylpropanoate
SMILESCOC(C)OCCOC(=O)CCC1CCCCC1
InChIInChI=1S/C14H26O4/c1-12(16-2)17-10-11-18-14(15)9-8-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3
InChIKeyJPTZEHSQMOORNN-UHFFFAOYSA-N
XLogP2.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.90
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

1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester
CID 567526
3-Cyclohexylcarbonyloxy-1,4-dioxan-2-yl cyclohexanecarboxylate
CID 3110574
2-(2,2-Diethoxyethyl)cyclohexanone
CID 568502
(2S,5S)-2-tert-butyl-5-(cyclohexylmethyl)-1,3-dioxolan-4-one
CID 101336634
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
Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoroacetate
CID 163240158
Cyclohexanecarboxylic acid, 2-methoxyethyl ester
CID 10583712
Methyl 4-(1,3-dioxan-2-yl)cyclohexane-1-carboxylate
CID 11379181
Cyclohexanecarboxylic acid, 2-ethoxyethyl ester
CID 53437878

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethoxy)ethyl 3-cyclohexylpropanoate?
The IUPAC name of 2-(1-methoxyethoxy)ethyl 3-cyclohexylpropanoate (CID 20729082) is 2-(1-methoxyethoxy)ethyl 3-cyclohexylpropanoate.
What is the SMILES notation for 2-(1-methoxyethoxy)ethyl 3-cyclohexylpropanoate?
The canonical SMILES for 2-(1-methoxyethoxy)ethyl 3-cyclohexylpropanoate is COC(C)OCCOC(=O)CCC1CCCCC1.
What is the InChIKey of 2-(1-methoxyethoxy)ethyl 3-cyclohexylpropanoate?
The InChIKey is JPTZEHSQMOORNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-12(16-2)17-10-11-18-14(15)9-8-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(1-methoxyethoxy)ethyl 3-cyclohexylpropanoate?
2-(1-methoxyethoxy)ethyl 3-cyclohexylpropanoate has a molecular weight of 258.36 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethoxy)ethyl 3-cyclohexylpropanoate is sourced from PubChem (CID 20729082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).