2-(1-methoxyethoxy)ethyl 4-cyclopentylbutanoate

C14H26O4 — CID 20729089

IUPAC2-(1-methoxyethoxy)ethyl 4-cyclopentylbutanoate
SMILESCOC(C)OCCOC(=O)CCCC1CCCC1
InChIInChI=1S/C14H26O4/c1-12(16-2)17-10-11-18-14(15)9-5-8-13-6-3-4-7-13/h12-13H,3-11H2,1-2H3
InChIKeyLDIBHXDAUFWFTD-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.90
Rot. Bonds9

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

2-(1-methoxyethoxy)ethyl 4-cyclopentylbutanoate (PubChem CID 20729089) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(1-methoxyethoxy)ethyl 4-cyclopentylbutanoate.

Molecular Properties

Compound Name2-(1-methoxyethoxy)ethyl 4-cyclopentylbutanoate
PubChem CID20729089
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-(1-methoxyethoxy)ethyl 4-cyclopentylbutanoate
SMILESCOC(C)OCCOC(=O)CCCC1CCCC1
InChIInChI=1S/C14H26O4/c1-12(16-2)17-10-11-18-14(15)9-5-8-13-6-3-4-7-13/h12-13H,3-11H2,1-2H3
InChIKeyLDIBHXDAUFWFTD-UHFFFAOYSA-N
XLogP2.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
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

Ethyl 3-(diethoxymethyl)heptanoate
CID 12859643
Ethyl 7-(1,3-dioxolan-2-yl)heptanoate
CID 12956805
Methyl cis-3-ethyl oxirane octanoate
CID 129887351
Ethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate
CID 135037698
(2-(1-Ethylpentyl)-1,3-dioxolan-4-yl)methyl laurate
CID 11971426
methyl (3R)-4-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pentanoate
CID 52912814
3-Cyclopentylpropionic acid, 2-methoxyethyl ester
CID 91693894
3-Cyclopentylpropionic acid, 2-ethoxyethyl ester
CID 91696206
Methyl 11-(1,3-dioxolan-2-yl)undecanoate
CID 10635929
1-acetyloxyethyl (2R)-2-propyloctanoate
CID 11514593
1-Ethoxyethyl 4-methyl-2-propylcyclopentane-1-carboxylate
CID 20661402
1-Ethoxyethyl 2,4-dimethylcyclopentane-1-carboxylate
CID 20681882

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethoxy)ethyl 4-cyclopentylbutanoate?
The IUPAC name of 2-(1-methoxyethoxy)ethyl 4-cyclopentylbutanoate (CID 20729089) is 2-(1-methoxyethoxy)ethyl 4-cyclopentylbutanoate.
What is the SMILES notation for 2-(1-methoxyethoxy)ethyl 4-cyclopentylbutanoate?
The canonical SMILES for 2-(1-methoxyethoxy)ethyl 4-cyclopentylbutanoate is COC(C)OCCOC(=O)CCCC1CCCC1.
What is the InChIKey of 2-(1-methoxyethoxy)ethyl 4-cyclopentylbutanoate?
The InChIKey is LDIBHXDAUFWFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-12(16-2)17-10-11-18-14(15)9-5-8-13-6-3-4-7-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(1-methoxyethoxy)ethyl 4-cyclopentylbutanoate?
2-(1-methoxyethoxy)ethyl 4-cyclopentylbutanoate has a molecular weight of 258.36 g/mol, XLogP of 2.90, 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-cyclopentylbutanoate is sourced from PubChem (CID 20729089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).