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

C13H24O4 — CID 20729079

IUPAC2-(1-methoxyethoxy)ethyl 2-methylcyclohexane-1-carboxylate
SMILESCOC(C)OCCOC(=O)C1CCCCC1C
InChIInChI=1S/C13H24O4/c1-10-6-4-5-7-12(10)13(14)17-9-8-16-11(2)15-3/h10-12H,4-9H2,1-3H3
InChIKeyLWSIKYRPLLEDBG-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.36
Rot. Bonds6

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

2-(1-methoxyethoxy)ethyl 2-methylcyclohexane-1-carboxylate (PubChem CID 20729079) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(1-methoxyethoxy)ethyl 2-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-(1-methoxyethoxy)ethyl 2-methylcyclohexane-1-carboxylate
PubChem CID20729079
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2-(1-methoxyethoxy)ethyl 2-methylcyclohexane-1-carboxylate
SMILESCOC(C)OCCOC(=O)C1CCCCC1C
InChIInChI=1S/C13H24O4/c1-10-6-4-5-7-12(10)13(14)17-9-8-16-11(2)15-3/h10-12H,4-9H2,1-3H3
InChIKeyLWSIKYRPLLEDBG-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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

trans-2-Methyl-cyclohexanecarboxylic acid ethyl ester
CID 12610630
1,2-Cyclohexanedicarboxylic acid, di(2-methoxyethyl) ester
CID 67924647
cis-2-Methyl-cyclohexanecarboxylic acid ethyl ester
CID 12610629
Ethyl 2-methylcyclohexanecarboxylate
CID 10773477
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
Diethyl 2,2'-(cyclohexane-1,2-diyl)diacetate
CID 284207
1,2-Cyclohexanedicarboxylic acid, isobutyl 2-methoxyethyl ester
CID 91694196
1,2-Cyclohexanedicarboxylic acid, butyl 2-methoxyethyl ester
CID 91721696
1,2-Cyclohexanedicarboxylic acid, ethyl 2-methoxyethyl ester
CID 91727997

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethoxy)ethyl 2-methylcyclohexane-1-carboxylate?
The IUPAC name of 2-(1-methoxyethoxy)ethyl 2-methylcyclohexane-1-carboxylate (CID 20729079) is 2-(1-methoxyethoxy)ethyl 2-methylcyclohexane-1-carboxylate.
What is the SMILES notation for 2-(1-methoxyethoxy)ethyl 2-methylcyclohexane-1-carboxylate?
The canonical SMILES for 2-(1-methoxyethoxy)ethyl 2-methylcyclohexane-1-carboxylate is COC(C)OCCOC(=O)C1CCCCC1C.
What is the InChIKey of 2-(1-methoxyethoxy)ethyl 2-methylcyclohexane-1-carboxylate?
The InChIKey is LWSIKYRPLLEDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-10-6-4-5-7-12(10)13(14)17-9-8-16-11(2)15-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-(1-methoxyethoxy)ethyl 2-methylcyclohexane-1-carboxylate?
2-(1-methoxyethoxy)ethyl 2-methylcyclohexane-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 2.36, 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 2-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 20729079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).