1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-3-methylbutane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;2-methoxy-3,4-dimethylpentane;2-methoxy-3-methylbutane;2-methoxy-3-methylpentane

C104H198O10 — CID 159455537

IUPAC1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-3-methylbutane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;2-methoxy-3,4-dimethylpentane;2-methoxy-3-methylbutane;2-methoxy-3-methylpentane
SMILESCCC(C)C(C)OC.CCOC(C)C(C)C.CCOC12CC3CC(CC(C3)C1)C2.CCOC1C2CC3CC(C2)CC1C3.CCOC1CC(C)CCC1C(C)C.CCOC1CCCC(C2CCCCC2)C1.CCOCC12CC3CC(CC(C3)C1)C2.CCOCC1C2CC3CC(C2)CC1C3.COC(C)C(C)C.COC(C)C(C)C(C)C
InChIInChI=1S/C14H26O.2C13H22O.2C12H20O.C12H24O.C8H18O.2C7H16O.C6H14O/c1-2-15-14-10-6-9-13(11-14)12-7-4-3-5-8-12;1-2-14-9-13-6-10-3-11(7-13)5-12(4-10)8-13;1-2-14-8-13-11-4-9-3-10(6-11)7-12(13)5-9;1-2-13-12-6-9-3-10(7-12)5-11(4-9)8-12;1-2-13-12-10-4-8-3-9(6-10)7-11(12)5-8;1-5-13-12-8-10(4)6-7-11(12)9(2)3;1-6(2)7(3)8(4)9-5;1-5-6(2)7(3)8-4;1-5-8-7(4)6(2)3;1-5(2)6(3)7-4/h12-14H,2-11H2,1H3;10-12H,2-9H2,1H3;9-13H,2-8H2,1H3;9-11H,2-8H2,1H3;8-12H,2-7H2,1H3;9-12H,5-8H2,1-4H3;6-8H,1-5H3;2*6-7H,5H2,1-4H3;5-6H,1-4H3
InChIKeyLTXQKCFWGVPMDE-UHFFFAOYSA-N
MW1608.72 g/mol
LogP27.94
Rot. Bonds27

About 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-3-methylbutane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;2-methoxy-3,4-dimethylpentane;2-methoxy-3-methylbutane;2-methoxy-3-methylpentane

1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-3-methylbutane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;2-methoxy-3,4-dimethylpentane;2-methoxy-3-methylbutane;2-methoxy-3-methylpentane (PubChem CID 159455537) has the molecular formula C104H198O10 and a molecular weight of 1608.72 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-3-methylbutane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;2-methoxy-3,4-dimethylpentane;2-methoxy-3-methylbutane;2-methoxy-3-methylpentane.

Molecular Properties

Compound Name1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-3-methylbutane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;2-methoxy-3,4-dimethylpentane;2-methoxy-3-methylbutane;2-methoxy-3-methylpentane
PubChem CID159455537
Molecular FormulaC104H198O10
Molecular Weight1608.72 g/mol
Exact Mass1607.50
IUPAC Name1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-3-methylbutane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;2-methoxy-3,4-dimethylpentane;2-methoxy-3-methylbutane;2-methoxy-3-methylpentane
SMILESCCC(C)C(C)OC.CCOC(C)C(C)C.CCOC12CC3CC(CC(C3)C1)C2.CCOC1C2CC3CC(C2)CC1C3.CCOC1CC(C)CCC1C(C)C.CCOC1CCCC(C2CCCCC2)C1.CCOCC12CC3CC(CC(C3)C1)C2.CCOCC1C2CC3CC(C2)CC1C3.COC(C)C(C)C.COC(C)C(C)C(C)C
InChIInChI=1S/C14H26O.2C13H22O.2C12H20O.C12H24O.C8H18O.2C7H16O.C6H14O/c1-2-15-14-10-6-9-13(11-14)12-7-4-3-5-8-12;1-2-14-9-13-6-10-3-11(7-13)5-12(4-10)8-13;1-2-14-8-13-11-4-9-3-10(6-11)7-12(13)5-9;1-2-13-12-6-9-3-10(7-12)5-11(4-9)8-12;1-2-13-12-10-4-8-3-9(6-10)7-11(12)5-8;1-5-13-12-8-10(4)6-7-11(12)9(2)3;1-6(2)7(3)8(4)9-5;1-5-6(2)7(3)8-4;1-5-8-7(4)6(2)3;1-5(2)6(3)7-4/h12-14H,2-11H2,1H3;10-12H,2-9H2,1H3;9-13H,2-8H2,1H3;9-11H,2-8H2,1H3;8-12H,2-7H2,1H3;9-12H,5-8H2,1-4H3;6-8H,1-5H3;2*6-7H,5H2,1-4H3;5-6H,1-4H3
InChIKeyLTXQKCFWGVPMDE-UHFFFAOYSA-N
XLogP27.94
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001608.72
LogP ≤ 527.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-3-methylbutane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;2-methoxy-3,4-dimethylpentane;2-methoxy-3-methylbutane;2-methoxy-3-methylpentane with MolForge

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

Launch Full Analysis

Related Compounds

1-tert-butyl-2-ethoxy-1-methylcyclohexane;1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 159073779
1-ethoxyadamantane;2-ethoxyadamantane;1-ethoxybutane;(2R)-2-ethoxybutane;ethoxyethane;1-(ethoxymethyl)adamantane;2-ethoxy-2-methylpropane;(2R)-2-ethoxypentane;1-ethoxypropane;bis(2-ethoxypropane);(2R)-2-methoxybutane;methoxyethane;(2R)-2-methoxy-3-methylbutane;2-methoxy-2-methylpropane;2-methoxypropane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;1-propan-2-yloxypropane;(2R)-2-propoxybutane;(2R)-2-propoxypentane
CID 159119290
1-ethoxyadamantane;2-ethoxyadamantane;5-ethoxyadamantan-2-one;1-ethoxy-1-ethylcyclohexane;1-ethoxy-1-ethylcyclopentane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-2-methylbicyclo[2.2.1]heptane;2-ethoxy-1,1,3,3-tetramethylcyclohexane;2-ethoxy-1,1,3,3-tetramethylcyclopentane
CID 157444012
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
1-(1-adamantyl)ethanol;1-(2-adamantyl)ethanol;1-tert-butyl-4-ethoxycyclohexane;1-cyclohexyl-2-ethoxycyclohexane;1-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)ethanol;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxyethane;3-ethoxy-1,1,1,2,2,3-hexafluoropropane;1-ethoxy-2-methoxyethane;1-(ethoxymethyl)adamantane;ethoxymethylcyclohexane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;methoxyethane;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)ethanol;1-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)propan-2-ol;1,2,3-trifluoro-2-(fluoromethyl)propane
CID 159566931
1-cyclohexyl-3-(3-methylbutan-2-yloxy)cyclohexane;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxymethyl)adamantane;8-(3-methylbutan-2-yloxy)tricyclo[5.2.1.02,6]decane;3-(propan-2-yloxymethyl)tricyclo[4.3.1.03,8]decane;8-propan-2-yloxytricyclo[5.2.1.02,6]decane
CID 161151069
[(2R)-butan-2-yl]oxycyclohexane;[(2R)-butan-2-yl]oxycyclopentane;8-[(2R)-butan-2-yl]oxytricyclo[5.2.1.02,6]decane;2-ethoxyadamantane;1-ethoxybutane;2-ethoxybutane;ethoxyethane;(2R)-2-ethoxy-3-methylbutane;bis(2-ethoxy-2-methylpropane);2-ethoxypentane;1-ethoxypropane;bis(2-ethoxypropane);(2R)-2-methoxybutane;methoxyethane;(2R)-2-methoxy-3-methylbutane;2-methoxy-2-methylpropane;(2R)-2-methoxypentane;2-methoxypropane;[(2R)-3-methylbutan-2-yl]oxycyclohexane;[(2R)-3-methylbutan-2-yl]oxycyclopentane;8-[(2R)-3-methylbutan-2-yl]oxytricyclo[5.2.1.02,6]decane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;1-propan-2-yloxypropane;8-propan-2-yloxytricyclo[5.2.1.02,6]decane;(2R)-2-propoxybutane;(2R)-2-propoxypentane
CID 158677405
1-[[(2R)-3-methylbutan-2-yl]oxymethyl]adamantane
CID 59584178
1-adamantylmethoxymethyl 2-methylbutanoate;2-adamantyloxymethyl 2-methylbutanoate;[cyclohexyl(ethoxy)methyl] 2-methylbutanoate;[cyclohexyl(methoxy)methyl] 2-methylbutanoate;cyclohexyloxymethyl 2-methylbutanoate;[cyclopentyl(methoxy)methyl] 2-methylbutanoate;ethoxymethyl 2-methylbutanoate;(1-ethoxy-2-methylpropyl) 2-methylbutanoate;(2-ethyl-1-methoxybutyl) 2-methylbutanoate;methane;methoxymethyl 2-methylbutanoate
CID 160502614
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
2-ethoxy-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58719019
fluoro-dimethyl-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]silane
CID 10988606

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-3-methylbutane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;2-methoxy-3,4-dimethylpentane;2-methoxy-3-methylbutane;2-methoxy-3-methylpentane?
The IUPAC name of 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-3-methylbutane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;2-methoxy-3,4-dimethylpentane;2-methoxy-3-methylbutane;2-methoxy-3-methylpentane (CID 159455537) is 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-3-methylbutane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;2-methoxy-3,4-dimethylpentane;2-methoxy-3-methylbutane;2-methoxy-3-methylpentane.
What is the SMILES notation for 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-3-methylbutane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;2-methoxy-3,4-dimethylpentane;2-methoxy-3-methylbutane;2-methoxy-3-methylpentane?
The canonical SMILES for 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-3-methylbutane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;2-methoxy-3,4-dimethylpentane;2-methoxy-3-methylbutane;2-methoxy-3-methylpentane is CCC(C)C(C)OC.CCOC(C)C(C)C.CCOC12CC3CC(CC(C3)C1)C2.CCOC1C2CC3CC(C2)CC1C3.CCOC1CC(C)CCC1C(C)C.CCOC1CCCC(C2CCCCC2)C1.CCOCC12CC3CC(CC(C3)C1)C2.CCOCC1C2CC3CC(C2)CC1C3.COC(C)C(C)C.COC(C)C(C)C(C)C.
What is the InChIKey of 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-3-methylbutane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;2-methoxy-3,4-dimethylpentane;2-methoxy-3-methylbutane;2-methoxy-3-methylpentane?
The InChIKey is LTXQKCFWGVPMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O.2C13H22O.2C12H20O.C12H24O.C8H18O.2C7H16O.C6H14O/c1-2-15-14-10-6-9-13(11-14)12-7-4-3-5-8-12;1-2-14-9-13-6-10-3-11(7-13)5-12(4-10)8-13;1-2-14-8-13-11-4-9-3-10(6-11)7-12(13)5-9;1-2-13-12-6-9-3-10(7-12)5-11(4-9)8-12;1-2-13-12-10-4-8-3-9(6-10)7-11(12)5-8;1-5-13-12-8-10(4)6-7-11(12)9(2)3;1-6(2)7(3)8(4)9-5;1-5-6(2)7(3)8-4;1-5-8-7(4)6(2)3;1-5(2)6(3)7-4/h12-14H,2-11H2,1H3;10-12H,2-9H2,1H3;9-13H,2-8H2,1H3;9-11H,2-8H2,1H3;8-12H,2-7H2,1H3;9-12H,5-8H2,1-4H3;6-8H,1-5H3;2*6-7H,5H2,1-4H3;5-6H,1-4H3.
What are the key properties of 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-3-methylbutane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;2-methoxy-3,4-dimethylpentane;2-methoxy-3-methylbutane;2-methoxy-3-methylpentane?
1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-3-methylbutane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;2-methoxy-3,4-dimethylpentane;2-methoxy-3-methylbutane;2-methoxy-3-methylpentane has a molecular weight of 1608.72 g/mol, XLogP of 27.94, 27 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane;2-ethoxy-3-methylbutane;2-ethoxy-4-methyl-1-propan-2-ylcyclohexane;2-methoxy-3,4-dimethylpentane;2-methoxy-3-methylbutane;2-methoxy-3-methylpentane is sourced from PubChem (CID 159455537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).