1-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl acetate;1-(2-cyclohexylethoxy)ethyl acetate;1-cyclohexyloxyethyl acetate;ethoxymethyl acetate;1-ethoxypropyl acetate;1-(1-methoxyethoxymethyl)adamantane;methoxymethyl acetate;1-(2-methylpropoxy)ethyl acetate;1,4-oxathian-2-yl acetate;1-(2-phenoxyethoxy)ethyl acetate;1-(2-phenylethoxy)ethyl acetate;1-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]ethyl acetate

C121H204O36S — CID 158998043

IUPAC1-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl acetate;1-(2-cyclohexylethoxy)ethyl acetate;1-cyclohexyloxyethyl acetate;ethoxymethyl acetate;1-ethoxypropyl acetate;1-(1-methoxyethoxymethyl)adamantane;methoxymethyl acetate;1-(2-methylpropoxy)ethyl acetate;1,4-oxathian-2-yl acetate;1-(2-phenoxyethoxy)ethyl acetate;1-(2-phenylethoxy)ethyl acetate;1-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]ethyl acetate
SMILESCC(=O)OC(C)OC1CCCCC1.CC(=O)OC(C)OCC(C)C.CC(=O)OC(C)OCCC1CC2CC1C1C3CCC(C3)C21.CC(=O)OC(C)OCCC1CC2CCC1C2.CC(=O)OC(C)OCCC1CCCCC1.CC(=O)OC(C)OCCOc1ccccc1.CC(=O)OC(C)OCCc1ccccc1.CC(=O)OC1CSCCO1.CCOC(CC)OC(C)=O.CCOCOC(C)=O.COC(C)OCC12CC3CC(CC(C3)C1)C2.COCOC(C)=O
InChIInChI=1S/C18H28O3.C14H24O2.C13H22O3.C12H16O4.C12H22O3.C12H16O3.C10H18O3.C8H16O3.C7H14O3.C6H10O3S.C5H10O3.C4H8O3/c1-10(19)21-11(2)20-6-5-12-7-15-9-16(12)18-14-4-3-13(8-14)17(15)18;1-10(15-2)16-9-14-6-11-3-12(7-14)5-13(4-11)8-14;1-9(14)16-10(2)15-6-5-13-8-11-3-4-12(13)7-11;1-10(13)16-11(2)14-8-9-15-12-6-4-3-5-7-12;2*1-10(13)15-11(2)14-9-8-12-6-4-3-5-7-12;1-8(11)12-9(2)13-10-6-4-3-5-7-10;1-6(2)5-10-8(4)11-7(3)9;1-4-7(9-5-2)10-6(3)8;1-5(7)9-6-4-10-3-2-8-6;1-3-7-4-8-5(2)6;1-4(5)7-3-6-2/h11-18H,3-9H2,1-2H3;10-13H,3-9H2,1-2H3;10-13H,3-8H2,1-2H3;3-7,11H,8-9H2,1-2H3;11-12H,3-9H2,1-2H3;3-7,11H,8-9H2,1-2H3;9-10H,3-7H2,1-2H3;6,8H,5H2,1-4H3;7H,4-5H2,1-3H3;6H,2-4H2,1H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyJQZKXSDXBRZRLT-UHFFFAOYSA-N
MW2266.99 g/mol
LogP23.07
Rot. Bonds47

About 1-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl acetate;1-(2-cyclohexylethoxy)ethyl acetate;1-cyclohexyloxyethyl acetate;ethoxymethyl acetate;1-ethoxypropyl acetate;1-(1-methoxyethoxymethyl)adamantane;methoxymethyl acetate;1-(2-methylpropoxy)ethyl acetate;1,4-oxathian-2-yl acetate;1-(2-phenoxyethoxy)ethyl acetate;1-(2-phenylethoxy)ethyl acetate;1-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]ethyl acetate

1-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl acetate;1-(2-cyclohexylethoxy)ethyl acetate;1-cyclohexyloxyethyl acetate;ethoxymethyl acetate;1-ethoxypropyl acetate;1-(1-methoxyethoxymethyl)adamantane;methoxymethyl acetate;1-(2-methylpropoxy)ethyl acetate;1,4-oxathian-2-yl acetate;1-(2-phenoxyethoxy)ethyl acetate;1-(2-phenylethoxy)ethyl acetate;1-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]ethyl acetate (PubChem CID 158998043) has the molecular formula C121H204O36S and a molecular weight of 2266.99 g/mol. Its IUPAC name is 1-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl acetate;1-(2-cyclohexylethoxy)ethyl acetate;1-cyclohexyloxyethyl acetate;ethoxymethyl acetate;1-ethoxypropyl acetate;1-(1-methoxyethoxymethyl)adamantane;methoxymethyl acetate;1-(2-methylpropoxy)ethyl acetate;1,4-oxathian-2-yl acetate;1-(2-phenoxyethoxy)ethyl acetate;1-(2-phenylethoxy)ethyl acetate;1-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]ethyl acetate.

Molecular Properties

Compound Name1-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl acetate;1-(2-cyclohexylethoxy)ethyl acetate;1-cyclohexyloxyethyl acetate;ethoxymethyl acetate;1-ethoxypropyl acetate;1-(1-methoxyethoxymethyl)adamantane;methoxymethyl acetate;1-(2-methylpropoxy)ethyl acetate;1,4-oxathian-2-yl acetate;1-(2-phenoxyethoxy)ethyl acetate;1-(2-phenylethoxy)ethyl acetate;1-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]ethyl acetate
PubChem CID158998043
Molecular FormulaC121H204O36S
Molecular Weight2266.99 g/mol
Exact Mass2265.39
IUPAC Name1-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl acetate;1-(2-cyclohexylethoxy)ethyl acetate;1-cyclohexyloxyethyl acetate;ethoxymethyl acetate;1-ethoxypropyl acetate;1-(1-methoxyethoxymethyl)adamantane;methoxymethyl acetate;1-(2-methylpropoxy)ethyl acetate;1,4-oxathian-2-yl acetate;1-(2-phenoxyethoxy)ethyl acetate;1-(2-phenylethoxy)ethyl acetate;1-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]ethyl acetate
SMILESCC(=O)OC(C)OC1CCCCC1.CC(=O)OC(C)OCC(C)C.CC(=O)OC(C)OCCC1CC2CC1C1C3CCC(C3)C21.CC(=O)OC(C)OCCC1CC2CCC1C2.CC(=O)OC(C)OCCC1CCCCC1.CC(=O)OC(C)OCCOc1ccccc1.CC(=O)OC(C)OCCc1ccccc1.CC(=O)OC1CSCCO1.CCOC(CC)OC(C)=O.CCOCOC(C)=O.COC(C)OCC12CC3CC(CC(C3)C1)C2.COCOC(C)=O
InChIInChI=1S/C18H28O3.C14H24O2.C13H22O3.C12H16O4.C12H22O3.C12H16O3.C10H18O3.C8H16O3.C7H14O3.C6H10O3S.C5H10O3.C4H8O3/c1-10(19)21-11(2)20-6-5-12-7-15-9-16(12)18-14-4-3-13(8-14)17(15)18;1-10(15-2)16-9-14-6-11-3-12(7-14)5-13(4-11)8-14;1-9(14)16-10(2)15-6-5-13-8-11-3-4-12(13)7-11;1-10(13)16-11(2)14-8-9-15-12-6-4-3-5-7-12;2*1-10(13)15-11(2)14-9-8-12-6-4-3-5-7-12;1-8(11)12-9(2)13-10-6-4-3-5-7-10;1-6(2)5-10-8(4)11-7(3)9;1-4-7(9-5-2)10-6(3)8;1-5(7)9-6-4-10-3-2-8-6;1-3-7-4-8-5(2)6;1-4(5)7-3-6-2/h11-18H,3-9H2,1-2H3;10-13H,3-9H2,1-2H3;10-13H,3-8H2,1-2H3;3-7,11H,8-9H2,1-2H3;11-12H,3-9H2,1-2H3;3-7,11H,8-9H2,1-2H3;9-10H,3-7H2,1-2H3;6,8H,5H2,1-4H3;7H,4-5H2,1-3H3;6H,2-4H2,1H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyJQZKXSDXBRZRLT-UHFFFAOYSA-N
XLogP23.07
TPSA418.52 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds47
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002266.99
LogP ≤ 523.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl acetate;1-(2-cyclohexylethoxy)ethyl acetate;1-cyclohexyloxyethyl acetate;ethoxymethyl acetate;1-ethoxypropyl acetate;1-(1-methoxyethoxymethyl)adamantane;methoxymethyl acetate;1-(2-methylpropoxy)ethyl acetate;1,4-oxathian-2-yl acetate;1-(2-phenoxyethoxy)ethyl acetate;1-(2-phenylethoxy)ethyl acetate;1-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]ethyl acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl acetate;1-(2-cyclohexylethoxy)ethyl acetate;1-cyclohexyloxyethyl acetate;ethoxymethyl acetate;1-ethoxypropyl acetate;1-(1-methoxyethoxymethyl)adamantane;methoxymethyl acetate;1-(2-methylpropoxy)ethyl acetate;1,4-oxathian-2-yl acetate;1-(2-phenoxyethoxy)ethyl acetate;1-(2-phenylethoxy)ethyl acetate;1-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]ethyl acetate?
The IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl acetate;1-(2-cyclohexylethoxy)ethyl acetate;1-cyclohexyloxyethyl acetate;ethoxymethyl acetate;1-ethoxypropyl acetate;1-(1-methoxyethoxymethyl)adamantane;methoxymethyl acetate;1-(2-methylpropoxy)ethyl acetate;1,4-oxathian-2-yl acetate;1-(2-phenoxyethoxy)ethyl acetate;1-(2-phenylethoxy)ethyl acetate;1-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]ethyl acetate (CID 158998043) is 1-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl acetate;1-(2-cyclohexylethoxy)ethyl acetate;1-cyclohexyloxyethyl acetate;ethoxymethyl acetate;1-ethoxypropyl acetate;1-(1-methoxyethoxymethyl)adamantane;methoxymethyl acetate;1-(2-methylpropoxy)ethyl acetate;1,4-oxathian-2-yl acetate;1-(2-phenoxyethoxy)ethyl acetate;1-(2-phenylethoxy)ethyl acetate;1-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]ethyl acetate.
What is the SMILES notation for 1-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl acetate;1-(2-cyclohexylethoxy)ethyl acetate;1-cyclohexyloxyethyl acetate;ethoxymethyl acetate;1-ethoxypropyl acetate;1-(1-methoxyethoxymethyl)adamantane;methoxymethyl acetate;1-(2-methylpropoxy)ethyl acetate;1,4-oxathian-2-yl acetate;1-(2-phenoxyethoxy)ethyl acetate;1-(2-phenylethoxy)ethyl acetate;1-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]ethyl acetate?
The canonical SMILES for 1-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl acetate;1-(2-cyclohexylethoxy)ethyl acetate;1-cyclohexyloxyethyl acetate;ethoxymethyl acetate;1-ethoxypropyl acetate;1-(1-methoxyethoxymethyl)adamantane;methoxymethyl acetate;1-(2-methylpropoxy)ethyl acetate;1,4-oxathian-2-yl acetate;1-(2-phenoxyethoxy)ethyl acetate;1-(2-phenylethoxy)ethyl acetate;1-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]ethyl acetate is CC(=O)OC(C)OC1CCCCC1.CC(=O)OC(C)OCC(C)C.CC(=O)OC(C)OCCC1CC2CC1C1C3CCC(C3)C21.CC(=O)OC(C)OCCC1CC2CCC1C2.CC(=O)OC(C)OCCC1CCCCC1.CC(=O)OC(C)OCCOc1ccccc1.CC(=O)OC(C)OCCc1ccccc1.CC(=O)OC1CSCCO1.CCOC(CC)OC(C)=O.CCOCOC(C)=O.COC(C)OCC12CC3CC(CC(C3)C1)C2.COCOC(C)=O.
What is the InChIKey of 1-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl acetate;1-(2-cyclohexylethoxy)ethyl acetate;1-cyclohexyloxyethyl acetate;ethoxymethyl acetate;1-ethoxypropyl acetate;1-(1-methoxyethoxymethyl)adamantane;methoxymethyl acetate;1-(2-methylpropoxy)ethyl acetate;1,4-oxathian-2-yl acetate;1-(2-phenoxyethoxy)ethyl acetate;1-(2-phenylethoxy)ethyl acetate;1-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]ethyl acetate?
The InChIKey is JQZKXSDXBRZRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3.C14H24O2.C13H22O3.C12H16O4.C12H22O3.C12H16O3.C10H18O3.C8H16O3.C7H14O3.C6H10O3S.C5H10O3.C4H8O3/c1-10(19)21-11(2)20-6-5-12-7-15-9-16(12)18-14-4-3-13(8-14)17(15)18;1-10(15-2)16-9-14-6-11-3-12(7-14)5-13(4-11)8-14;1-9(14)16-10(2)15-6-5-13-8-11-3-4-12(13)7-11;1-10(13)16-11(2)14-8-9-15-12-6-4-3-5-7-12;2*1-10(13)15-11(2)14-9-8-12-6-4-3-5-7-12;1-8(11)12-9(2)13-10-6-4-3-5-7-10;1-6(2)5-10-8(4)11-7(3)9;1-4-7(9-5-2)10-6(3)8;1-5(7)9-6-4-10-3-2-8-6;1-3-7-4-8-5(2)6;1-4(5)7-3-6-2/h11-18H,3-9H2,1-2H3;10-13H,3-9H2,1-2H3;10-13H,3-8H2,1-2H3;3-7,11H,8-9H2,1-2H3;11-12H,3-9H2,1-2H3;3-7,11H,8-9H2,1-2H3;9-10H,3-7H2,1-2H3;6,8H,5H2,1-4H3;7H,4-5H2,1-3H3;6H,2-4H2,1H3;3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of 1-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl acetate;1-(2-cyclohexylethoxy)ethyl acetate;1-cyclohexyloxyethyl acetate;ethoxymethyl acetate;1-ethoxypropyl acetate;1-(1-methoxyethoxymethyl)adamantane;methoxymethyl acetate;1-(2-methylpropoxy)ethyl acetate;1,4-oxathian-2-yl acetate;1-(2-phenoxyethoxy)ethyl acetate;1-(2-phenylethoxy)ethyl acetate;1-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]ethyl acetate?
1-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl acetate;1-(2-cyclohexylethoxy)ethyl acetate;1-cyclohexyloxyethyl acetate;ethoxymethyl acetate;1-ethoxypropyl acetate;1-(1-methoxyethoxymethyl)adamantane;methoxymethyl acetate;1-(2-methylpropoxy)ethyl acetate;1,4-oxathian-2-yl acetate;1-(2-phenoxyethoxy)ethyl acetate;1-(2-phenylethoxy)ethyl acetate;1-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]ethyl acetate has a molecular weight of 2266.99 g/mol, XLogP of 23.07, 47 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bicyclo[2.2.1]heptanyl)ethoxy]ethyl acetate;1-(2-cyclohexylethoxy)ethyl acetate;1-cyclohexyloxyethyl acetate;ethoxymethyl acetate;1-ethoxypropyl acetate;1-(1-methoxyethoxymethyl)adamantane;methoxymethyl acetate;1-(2-methylpropoxy)ethyl acetate;1,4-oxathian-2-yl acetate;1-(2-phenoxyethoxy)ethyl acetate;1-(2-phenylethoxy)ethyl acetate;1-[2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethoxy]ethyl acetate is sourced from PubChem (CID 158998043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).