7-ethoxybicyclo[2.2.1]heptane;5-ethoxybicyclo[2.1.1]hexane;3-ethoxy-2,2-dimethylbicyclo[2.2.2]octane;4-ethoxy-3,3-dimethylspiro[4.5]decane;7-ethoxy-6,6-dimethylspiro[2.4]heptane;4-ethoxy-3,3-dimethylspiro[4.4]nonane;5-ethoxy-4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;[1-(ethoxymethyl)cyclopentyl]cyclohexane;5-(ethoxymethyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene;6-(ethoxymethyl)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene;7-(ethoxymethyl)-7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8-(ethoxymethyl)-8-methyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;bis(1-(ethoxymethyl)-1-propan-2-ylcyclohexane);1-(ethoxymethyl)-1-propan-2-ylcyclopentane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;7-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane

C209H380O17 — CID 158668264

IUPAC7-ethoxybicyclo[2.2.1]heptane;5-ethoxybicyclo[2.1.1]hexane;3-ethoxy-2,2-dimethylbicyclo[2.2.2]octane;4-ethoxy-3,3-dimethylspiro[4.5]decane;7-ethoxy-6,6-dimethylspiro[2.4]heptane;4-ethoxy-3,3-dimethylspiro[4.4]nonane;5-ethoxy-4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;[1-(ethoxymethyl)cyclopentyl]cyclohexane;5-(ethoxymethyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene;6-(ethoxymethyl)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene;7-(ethoxymethyl)-7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8-(ethoxymethyl)-8-methyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;bis(1-(ethoxymethyl)-1-propan-2-ylcyclohexane);1-(ethoxymethyl)-1-propan-2-ylcyclopentane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;7-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane
SMILESCCOC1C(C)(C)CCC12CC2.CCOC1C(C)(C)CCC12CCCC2.CCOC1C(C)(C)CCC12CCCCC2.CCOC1C2CC(C3C4CCC(C4)C23)C1(C)C.CCOC1C2CCC(CC2)C1(C)C.CCOC1C2CCC1(C)CC2(C)C.CCOC1C2CCC1C2.CCOC1C2CCC1CC2.CCOCC1(C(C)C)CCCC1.CCOCC1(C(C)C)CCCCC1.CCOCC1(C(C)C)CCCCC1.CCOCC1(C)CC2CCCC2C1.CCOCC1(C)CCC2CCCC21.CCOCC1(C)CCC2CCCCC2C1.CCOCC1(C)CCCC2CCCCC21.CCOCC1(C2CCCCC2)CCCC1.CCOCC1CCCc2ccccc21
InChIInChI=1S/C16H26O.4C14H26O.C13H24O.C13H18O.4C12H22O.2C12H24O.C11H20O.C11H22O.C9H16O.C8H14O/c1-4-17-15-11-8-12(16(15,2)3)14-10-6-5-9(7-10)13(11)14;1-4-15-12-13(2,3)10-11-14(12)8-6-5-7-9-14;1-3-15-11-14(2)10-6-8-12-7-4-5-9-13(12)14;1-3-15-11-14(2)9-8-12-6-4-5-7-13(12)10-14;1-2-15-12-14(10-6-7-11-14)13-8-4-3-5-9-13;1-4-14-11-12(2,3)9-10-13(11)7-5-6-8-13;1-2-14-10-12-8-5-7-11-6-3-4-9-13(11)12;1-5-13-10-9-6-7-12(10,4)8-11(9,2)3;1-4-13-11-9-5-7-10(8-6-9)12(11,2)3;1-3-13-9-12(2)7-10-5-4-6-11(10)8-12;1-3-13-9-12(2)8-7-10-5-4-6-11(10)12;2*1-4-13-10-12(11(2)3)8-6-5-7-9-12;1-4-12-9-10(2,3)5-6-11(9)7-8-11;1-4-12-9-11(10(2)3)7-5-6-8-11;1-2-10-9-7-3-4-8(9)6-5-7;1-2-9-8-6-3-4-7(8)5-6/h9-15H,4-8H2,1-3H3;12H,4-11H2,1-3H3;2*12-13H,3-11H2,1-2H3;13H,2-12H2,1H3;11H,4-10H2,1-3H3;3-4,6,9,12H,2,5,7-8,10H2,1H3;9-10H,5-8H2,1-4H3;9-11H,4-8H2,1-3H3;2*10-11H,3-9H2,1-2H3;2*11H,4-10H2,1-3H3;9H,4-8H2,1-3H3;10H,4-9H2,1-3H3;7-9H,2-6H2,1H3;6-8H,2-5H2,1H3
InChIKeyIDQATRKAJYSNGR-UHFFFAOYSA-N
MW3165.32 g/mol
LogP57.49
Rot. Bonds47

About 7-ethoxybicyclo[2.2.1]heptane;5-ethoxybicyclo[2.1.1]hexane;3-ethoxy-2,2-dimethylbicyclo[2.2.2]octane;4-ethoxy-3,3-dimethylspiro[4.5]decane;7-ethoxy-6,6-dimethylspiro[2.4]heptane;4-ethoxy-3,3-dimethylspiro[4.4]nonane;5-ethoxy-4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;[1-(ethoxymethyl)cyclopentyl]cyclohexane;5-(ethoxymethyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene;6-(ethoxymethyl)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene;7-(ethoxymethyl)-7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8-(ethoxymethyl)-8-methyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;bis(1-(ethoxymethyl)-1-propan-2-ylcyclohexane);1-(ethoxymethyl)-1-propan-2-ylcyclopentane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;7-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane

7-ethoxybicyclo[2.2.1]heptane;5-ethoxybicyclo[2.1.1]hexane;3-ethoxy-2,2-dimethylbicyclo[2.2.2]octane;4-ethoxy-3,3-dimethylspiro[4.5]decane;7-ethoxy-6,6-dimethylspiro[2.4]heptane;4-ethoxy-3,3-dimethylspiro[4.4]nonane;5-ethoxy-4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;[1-(ethoxymethyl)cyclopentyl]cyclohexane;5-(ethoxymethyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene;6-(ethoxymethyl)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene;7-(ethoxymethyl)-7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8-(ethoxymethyl)-8-methyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;bis(1-(ethoxymethyl)-1-propan-2-ylcyclohexane);1-(ethoxymethyl)-1-propan-2-ylcyclopentane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;7-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane (PubChem CID 158668264) has the molecular formula C209H380O17 and a molecular weight of 3165.32 g/mol. Its IUPAC name is 7-ethoxybicyclo[2.2.1]heptane;5-ethoxybicyclo[2.1.1]hexane;3-ethoxy-2,2-dimethylbicyclo[2.2.2]octane;4-ethoxy-3,3-dimethylspiro[4.5]decane;7-ethoxy-6,6-dimethylspiro[2.4]heptane;4-ethoxy-3,3-dimethylspiro[4.4]nonane;5-ethoxy-4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;[1-(ethoxymethyl)cyclopentyl]cyclohexane;5-(ethoxymethyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene;6-(ethoxymethyl)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene;7-(ethoxymethyl)-7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8-(ethoxymethyl)-8-methyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;bis(1-(ethoxymethyl)-1-propan-2-ylcyclohexane);1-(ethoxymethyl)-1-propan-2-ylcyclopentane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;7-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-ethoxybicyclo[2.2.1]heptane;5-ethoxybicyclo[2.1.1]hexane;3-ethoxy-2,2-dimethylbicyclo[2.2.2]octane;4-ethoxy-3,3-dimethylspiro[4.5]decane;7-ethoxy-6,6-dimethylspiro[2.4]heptane;4-ethoxy-3,3-dimethylspiro[4.4]nonane;5-ethoxy-4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;[1-(ethoxymethyl)cyclopentyl]cyclohexane;5-(ethoxymethyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene;6-(ethoxymethyl)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene;7-(ethoxymethyl)-7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8-(ethoxymethyl)-8-methyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;bis(1-(ethoxymethyl)-1-propan-2-ylcyclohexane);1-(ethoxymethyl)-1-propan-2-ylcyclopentane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;7-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane
PubChem CID158668264
Molecular FormulaC209H380O17
Molecular Weight3165.32 g/mol
Exact Mass3162.89
IUPAC Name7-ethoxybicyclo[2.2.1]heptane;5-ethoxybicyclo[2.1.1]hexane;3-ethoxy-2,2-dimethylbicyclo[2.2.2]octane;4-ethoxy-3,3-dimethylspiro[4.5]decane;7-ethoxy-6,6-dimethylspiro[2.4]heptane;4-ethoxy-3,3-dimethylspiro[4.4]nonane;5-ethoxy-4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;[1-(ethoxymethyl)cyclopentyl]cyclohexane;5-(ethoxymethyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene;6-(ethoxymethyl)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene;7-(ethoxymethyl)-7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8-(ethoxymethyl)-8-methyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;bis(1-(ethoxymethyl)-1-propan-2-ylcyclohexane);1-(ethoxymethyl)-1-propan-2-ylcyclopentane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;7-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane
SMILESCCOC1C(C)(C)CCC12CC2.CCOC1C(C)(C)CCC12CCCC2.CCOC1C(C)(C)CCC12CCCCC2.CCOC1C2CC(C3C4CCC(C4)C23)C1(C)C.CCOC1C2CCC(CC2)C1(C)C.CCOC1C2CCC1(C)CC2(C)C.CCOC1C2CCC1C2.CCOC1C2CCC1CC2.CCOCC1(C(C)C)CCCC1.CCOCC1(C(C)C)CCCCC1.CCOCC1(C(C)C)CCCCC1.CCOCC1(C)CC2CCCC2C1.CCOCC1(C)CCC2CCCC21.CCOCC1(C)CCC2CCCCC2C1.CCOCC1(C)CCCC2CCCCC21.CCOCC1(C2CCCCC2)CCCC1.CCOCC1CCCc2ccccc21
InChIInChI=1S/C16H26O.4C14H26O.C13H24O.C13H18O.4C12H22O.2C12H24O.C11H20O.C11H22O.C9H16O.C8H14O/c1-4-17-15-11-8-12(16(15,2)3)14-10-6-5-9(7-10)13(11)14;1-4-15-12-13(2,3)10-11-14(12)8-6-5-7-9-14;1-3-15-11-14(2)10-6-8-12-7-4-5-9-13(12)14;1-3-15-11-14(2)9-8-12-6-4-5-7-13(12)10-14;1-2-15-12-14(10-6-7-11-14)13-8-4-3-5-9-13;1-4-14-11-12(2,3)9-10-13(11)7-5-6-8-13;1-2-14-10-12-8-5-7-11-6-3-4-9-13(11)12;1-5-13-10-9-6-7-12(10,4)8-11(9,2)3;1-4-13-11-9-5-7-10(8-6-9)12(11,2)3;1-3-13-9-12(2)7-10-5-4-6-11(10)8-12;1-3-13-9-12(2)8-7-10-5-4-6-11(10)12;2*1-4-13-10-12(11(2)3)8-6-5-7-9-12;1-4-12-9-10(2,3)5-6-11(9)7-8-11;1-4-12-9-11(10(2)3)7-5-6-8-11;1-2-10-9-7-3-4-8(9)6-5-7;1-2-9-8-6-3-4-7(8)5-6/h9-15H,4-8H2,1-3H3;12H,4-11H2,1-3H3;2*12-13H,3-11H2,1-2H3;13H,2-12H2,1H3;11H,4-10H2,1-3H3;3-4,6,9,12H,2,5,7-8,10H2,1H3;9-10H,5-8H2,1-4H3;9-11H,4-8H2,1-3H3;2*10-11H,3-9H2,1-2H3;2*11H,4-10H2,1-3H3;9H,4-8H2,1-3H3;10H,4-9H2,1-3H3;7-9H,2-6H2,1H3;6-8H,2-5H2,1H3
InChIKeyIDQATRKAJYSNGR-UHFFFAOYSA-N
XLogP57.49
TPSA156.91 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds47
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003165.32
LogP ≤ 557.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze 7-ethoxybicyclo[2.2.1]heptane;5-ethoxybicyclo[2.1.1]hexane;3-ethoxy-2,2-dimethylbicyclo[2.2.2]octane;4-ethoxy-3,3-dimethylspiro[4.5]decane;7-ethoxy-6,6-dimethylspiro[2.4]heptane;4-ethoxy-3,3-dimethylspiro[4.4]nonane;5-ethoxy-4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;[1-(ethoxymethyl)cyclopentyl]cyclohexane;5-(ethoxymethyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene;6-(ethoxymethyl)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene;7-(ethoxymethyl)-7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8-(ethoxymethyl)-8-methyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;bis(1-(ethoxymethyl)-1-propan-2-ylcyclohexane);1-(ethoxymethyl)-1-propan-2-ylcyclopentane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;7-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethoxybicyclo[2.2.1]heptane;5-ethoxybicyclo[2.1.1]hexane;3-ethoxy-2,2-dimethylbicyclo[2.2.2]octane;4-ethoxy-3,3-dimethylspiro[4.5]decane;7-ethoxy-6,6-dimethylspiro[2.4]heptane;4-ethoxy-3,3-dimethylspiro[4.4]nonane;5-ethoxy-4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;[1-(ethoxymethyl)cyclopentyl]cyclohexane;5-(ethoxymethyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene;6-(ethoxymethyl)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene;7-(ethoxymethyl)-7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8-(ethoxymethyl)-8-methyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;bis(1-(ethoxymethyl)-1-propan-2-ylcyclohexane);1-(ethoxymethyl)-1-propan-2-ylcyclopentane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;7-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane?
The IUPAC name of 7-ethoxybicyclo[2.2.1]heptane;5-ethoxybicyclo[2.1.1]hexane;3-ethoxy-2,2-dimethylbicyclo[2.2.2]octane;4-ethoxy-3,3-dimethylspiro[4.5]decane;7-ethoxy-6,6-dimethylspiro[2.4]heptane;4-ethoxy-3,3-dimethylspiro[4.4]nonane;5-ethoxy-4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;[1-(ethoxymethyl)cyclopentyl]cyclohexane;5-(ethoxymethyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene;6-(ethoxymethyl)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene;7-(ethoxymethyl)-7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8-(ethoxymethyl)-8-methyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;bis(1-(ethoxymethyl)-1-propan-2-ylcyclohexane);1-(ethoxymethyl)-1-propan-2-ylcyclopentane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;7-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane (CID 158668264) is 7-ethoxybicyclo[2.2.1]heptane;5-ethoxybicyclo[2.1.1]hexane;3-ethoxy-2,2-dimethylbicyclo[2.2.2]octane;4-ethoxy-3,3-dimethylspiro[4.5]decane;7-ethoxy-6,6-dimethylspiro[2.4]heptane;4-ethoxy-3,3-dimethylspiro[4.4]nonane;5-ethoxy-4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;[1-(ethoxymethyl)cyclopentyl]cyclohexane;5-(ethoxymethyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene;6-(ethoxymethyl)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene;7-(ethoxymethyl)-7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8-(ethoxymethyl)-8-methyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;bis(1-(ethoxymethyl)-1-propan-2-ylcyclohexane);1-(ethoxymethyl)-1-propan-2-ylcyclopentane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;7-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 7-ethoxybicyclo[2.2.1]heptane;5-ethoxybicyclo[2.1.1]hexane;3-ethoxy-2,2-dimethylbicyclo[2.2.2]octane;4-ethoxy-3,3-dimethylspiro[4.5]decane;7-ethoxy-6,6-dimethylspiro[2.4]heptane;4-ethoxy-3,3-dimethylspiro[4.4]nonane;5-ethoxy-4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;[1-(ethoxymethyl)cyclopentyl]cyclohexane;5-(ethoxymethyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene;6-(ethoxymethyl)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene;7-(ethoxymethyl)-7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8-(ethoxymethyl)-8-methyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;bis(1-(ethoxymethyl)-1-propan-2-ylcyclohexane);1-(ethoxymethyl)-1-propan-2-ylcyclopentane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;7-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 7-ethoxybicyclo[2.2.1]heptane;5-ethoxybicyclo[2.1.1]hexane;3-ethoxy-2,2-dimethylbicyclo[2.2.2]octane;4-ethoxy-3,3-dimethylspiro[4.5]decane;7-ethoxy-6,6-dimethylspiro[2.4]heptane;4-ethoxy-3,3-dimethylspiro[4.4]nonane;5-ethoxy-4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;[1-(ethoxymethyl)cyclopentyl]cyclohexane;5-(ethoxymethyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene;6-(ethoxymethyl)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene;7-(ethoxymethyl)-7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8-(ethoxymethyl)-8-methyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;bis(1-(ethoxymethyl)-1-propan-2-ylcyclohexane);1-(ethoxymethyl)-1-propan-2-ylcyclopentane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;7-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane is CCOC1C(C)(C)CCC12CC2.CCOC1C(C)(C)CCC12CCCC2.CCOC1C(C)(C)CCC12CCCCC2.CCOC1C2CC(C3C4CCC(C4)C23)C1(C)C.CCOC1C2CCC(CC2)C1(C)C.CCOC1C2CCC1(C)CC2(C)C.CCOC1C2CCC1C2.CCOC1C2CCC1CC2.CCOCC1(C(C)C)CCCC1.CCOCC1(C(C)C)CCCCC1.CCOCC1(C(C)C)CCCCC1.CCOCC1(C)CC2CCCC2C1.CCOCC1(C)CCC2CCCC21.CCOCC1(C)CCC2CCCCC2C1.CCOCC1(C)CCCC2CCCCC21.CCOCC1(C2CCCCC2)CCCC1.CCOCC1CCCc2ccccc21.
What is the InChIKey of 7-ethoxybicyclo[2.2.1]heptane;5-ethoxybicyclo[2.1.1]hexane;3-ethoxy-2,2-dimethylbicyclo[2.2.2]octane;4-ethoxy-3,3-dimethylspiro[4.5]decane;7-ethoxy-6,6-dimethylspiro[2.4]heptane;4-ethoxy-3,3-dimethylspiro[4.4]nonane;5-ethoxy-4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;[1-(ethoxymethyl)cyclopentyl]cyclohexane;5-(ethoxymethyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene;6-(ethoxymethyl)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene;7-(ethoxymethyl)-7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8-(ethoxymethyl)-8-methyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;bis(1-(ethoxymethyl)-1-propan-2-ylcyclohexane);1-(ethoxymethyl)-1-propan-2-ylcyclopentane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;7-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane?
The InChIKey is IDQATRKAJYSNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O.4C14H26O.C13H24O.C13H18O.4C12H22O.2C12H24O.C11H20O.C11H22O.C9H16O.C8H14O/c1-4-17-15-11-8-12(16(15,2)3)14-10-6-5-9(7-10)13(11)14;1-4-15-12-13(2,3)10-11-14(12)8-6-5-7-9-14;1-3-15-11-14(2)10-6-8-12-7-4-5-9-13(12)14;1-3-15-11-14(2)9-8-12-6-4-5-7-13(12)10-14;1-2-15-12-14(10-6-7-11-14)13-8-4-3-5-9-13;1-4-14-11-12(2,3)9-10-13(11)7-5-6-8-13;1-2-14-10-12-8-5-7-11-6-3-4-9-13(11)12;1-5-13-10-9-6-7-12(10,4)8-11(9,2)3;1-4-13-11-9-5-7-10(8-6-9)12(11,2)3;1-3-13-9-12(2)7-10-5-4-6-11(10)8-12;1-3-13-9-12(2)8-7-10-5-4-6-11(10)12;2*1-4-13-10-12(11(2)3)8-6-5-7-9-12;1-4-12-9-10(2,3)5-6-11(9)7-8-11;1-4-12-9-11(10(2)3)7-5-6-8-11;1-2-10-9-7-3-4-8(9)6-5-7;1-2-9-8-6-3-4-7(8)5-6/h9-15H,4-8H2,1-3H3;12H,4-11H2,1-3H3;2*12-13H,3-11H2,1-2H3;13H,2-12H2,1H3;11H,4-10H2,1-3H3;3-4,6,9,12H,2,5,7-8,10H2,1H3;9-10H,5-8H2,1-4H3;9-11H,4-8H2,1-3H3;2*10-11H,3-9H2,1-2H3;2*11H,4-10H2,1-3H3;9H,4-8H2,1-3H3;10H,4-9H2,1-3H3;7-9H,2-6H2,1H3;6-8H,2-5H2,1H3.
What are the key properties of 7-ethoxybicyclo[2.2.1]heptane;5-ethoxybicyclo[2.1.1]hexane;3-ethoxy-2,2-dimethylbicyclo[2.2.2]octane;4-ethoxy-3,3-dimethylspiro[4.5]decane;7-ethoxy-6,6-dimethylspiro[2.4]heptane;4-ethoxy-3,3-dimethylspiro[4.4]nonane;5-ethoxy-4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;[1-(ethoxymethyl)cyclopentyl]cyclohexane;5-(ethoxymethyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene;6-(ethoxymethyl)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene;7-(ethoxymethyl)-7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8-(ethoxymethyl)-8-methyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;bis(1-(ethoxymethyl)-1-propan-2-ylcyclohexane);1-(ethoxymethyl)-1-propan-2-ylcyclopentane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;7-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane?
7-ethoxybicyclo[2.2.1]heptane;5-ethoxybicyclo[2.1.1]hexane;3-ethoxy-2,2-dimethylbicyclo[2.2.2]octane;4-ethoxy-3,3-dimethylspiro[4.5]decane;7-ethoxy-6,6-dimethylspiro[2.4]heptane;4-ethoxy-3,3-dimethylspiro[4.4]nonane;5-ethoxy-4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;[1-(ethoxymethyl)cyclopentyl]cyclohexane;5-(ethoxymethyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene;6-(ethoxymethyl)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene;7-(ethoxymethyl)-7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8-(ethoxymethyl)-8-methyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;bis(1-(ethoxymethyl)-1-propan-2-ylcyclohexane);1-(ethoxymethyl)-1-propan-2-ylcyclopentane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;7-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane has a molecular weight of 3165.32 g/mol, XLogP of 57.49, 47 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxybicyclo[2.2.1]heptane;5-ethoxybicyclo[2.1.1]hexane;3-ethoxy-2,2-dimethylbicyclo[2.2.2]octane;4-ethoxy-3,3-dimethylspiro[4.5]decane;7-ethoxy-6,6-dimethylspiro[2.4]heptane;4-ethoxy-3,3-dimethylspiro[4.4]nonane;5-ethoxy-4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;[1-(ethoxymethyl)cyclopentyl]cyclohexane;5-(ethoxymethyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene;6-(ethoxymethyl)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene;7-(ethoxymethyl)-7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8-(ethoxymethyl)-8-methyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;bis(1-(ethoxymethyl)-1-propan-2-ylcyclohexane);1-(ethoxymethyl)-1-propan-2-ylcyclopentane;1-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene;7-ethoxy-1,3,3-trimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 158668264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).