2-(1-methoxyethoxy)ethyl 1-methylcyclohexane-1-carboxylate

C13H24O4 — CID 20729065

IUPAC2-(1-methoxyethoxy)ethyl 1-methylcyclohexane-1-carboxylate
SMILESCOC(C)OCCOC(=O)C1(C)CCCCC1
InChIInChI=1S/C13H24O4/c1-11(15-3)16-9-10-17-12(14)13(2)7-5-4-6-8-13/h11H,4-10H2,1-3H3
InChIKeyMHKKGQORALOORW-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.51
Rot. Bonds6

About 2-(1-methoxyethoxy)ethyl 1-methylcyclohexane-1-carboxylate

2-(1-methoxyethoxy)ethyl 1-methylcyclohexane-1-carboxylate (PubChem CID 20729065) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(1-methoxyethoxy)ethyl 1-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-(1-methoxyethoxy)ethyl 1-methylcyclohexane-1-carboxylate
PubChem CID20729065
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2-(1-methoxyethoxy)ethyl 1-methylcyclohexane-1-carboxylate
SMILESCOC(C)OCCOC(=O)C1(C)CCCCC1
InChIInChI=1S/C13H24O4/c1-11(15-3)16-9-10-17-12(14)13(2)7-5-4-6-8-13/h11H,4-10H2,1-3H3
InChIKeyMHKKGQORALOORW-UHFFFAOYSA-N
XLogP2.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.51
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-carboxylic acid, 6-methyl-, ethyl ester
CID 567367
3-[2-(1,3-Dioxolan-2-yl)ethyl]-3-methylcyclohexan-1-one
CID 12452561
Tert-butyl 2-(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 12130898
Methyl 1-(2,2-dimethoxyethyl)cyclohexane-1-carboxylate
CID 121001274
1-acetyloxyethyl (2R)-2-propyloctanoate
CID 11514593
1-Ethoxycarbonyloxyethyl 2-(1-ethylcyclohexyl)acetate
CID 20614080
2-(1-Methoxyethoxy)ethyl 1,2-dimethylcyclopentane-1-carboxylate
CID 20729064
2-(1-Methoxyethoxy)ethyl 2-cycloheptylacetate
CID 20729077
2-(1-Methoxyethoxy)ethyl 2-cyclohexylacetate
CID 20729078
2-(1-Methoxyethoxy)ethyl 2-methylcyclohexane-1-carboxylate
CID 20729079
2-(1-Methoxyethoxy)ethyl 3,4-dimethyloctanoate
CID 20729081
2-(1-Methoxyethoxy)ethyl 3-cyclohexylpropanoate
CID 20729082

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethoxy)ethyl 1-methylcyclohexane-1-carboxylate?
The IUPAC name of 2-(1-methoxyethoxy)ethyl 1-methylcyclohexane-1-carboxylate (CID 20729065) is 2-(1-methoxyethoxy)ethyl 1-methylcyclohexane-1-carboxylate.
What is the SMILES notation for 2-(1-methoxyethoxy)ethyl 1-methylcyclohexane-1-carboxylate?
The canonical SMILES for 2-(1-methoxyethoxy)ethyl 1-methylcyclohexane-1-carboxylate is COC(C)OCCOC(=O)C1(C)CCCCC1.
What is the InChIKey of 2-(1-methoxyethoxy)ethyl 1-methylcyclohexane-1-carboxylate?
The InChIKey is MHKKGQORALOORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-11(15-3)16-9-10-17-12(14)13(2)7-5-4-6-8-13/h11H,4-10H2,1-3H3.
What are the key properties of 2-(1-methoxyethoxy)ethyl 1-methylcyclohexane-1-carboxylate?
2-(1-methoxyethoxy)ethyl 1-methylcyclohexane-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethoxy)ethyl 1-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 20729065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).