2-(1-methoxyethoxy)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate

C14H24O4 — CID 20729080

IUPAC2-(1-methoxyethoxy)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCOC(C)OCCOC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H24O4/c1-10(16-2)17-5-6-18-14(15)9-13-8-11-3-4-12(13)7-11/h10-13H,3-9H2,1-2H3
InChIKeyGUMWPJIWTHEINB-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.36
Rot. Bonds7

About 2-(1-methoxyethoxy)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate

2-(1-methoxyethoxy)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 20729080) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-(1-methoxyethoxy)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name2-(1-methoxyethoxy)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID20729080
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-(1-methoxyethoxy)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCOC(C)OCCOC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H24O4/c1-10(16-2)17-5-6-18-14(15)9-13-8-11-3-4-12(13)7-11/h10-13H,3-9H2,1-2H3
InChIKeyGUMWPJIWTHEINB-UHFFFAOYSA-N
XLogP2.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
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

Ethyl bicyclo[2.2.1]hept-2-ylacetate
CID 15312317
Ethyl bicyclo(2.2.1)heptane-2-carboxylate
CID 108540
Ethyl 2,5-endomethylenecyclohexanecarboxylate
CID 21118411
methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate
CID 56595628
1-Ethoxyethyl 5,6-dimethyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate
CID 58823497
2-(1-Ethoxycarbonylpropan-2-yl)-3-(2-methyl-1-propyl)-bicyclo[2.2.1]heptane
CID 20150803
Acetoxy-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-endo-methyl acetate
CID 14335936
Diethyl 2,3-norbornanediacetate
CID 129679262
ethyl 2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 134979254
Ethyl 5-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 44144856
3-(1,3-Dioxolan-2-ylmethyl)bicyclo[2.2.1]heptan-2-one
CID 85279921
Ethyl 3-(diethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylate
CID 12800684

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethoxy)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of 2-(1-methoxyethoxy)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 20729080) is 2-(1-methoxyethoxy)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for 2-(1-methoxyethoxy)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for 2-(1-methoxyethoxy)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate is COC(C)OCCOC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(1-methoxyethoxy)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is GUMWPJIWTHEINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-10(16-2)17-5-6-18-14(15)9-13-8-11-3-4-12(13)7-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-(1-methoxyethoxy)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
2-(1-methoxyethoxy)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 256.34 g/mol, XLogP of 2.36, 7 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-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 20729080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).