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

C89H160O7 — CID 159073779

IUPAC1-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
SMILESCCOC12CC3CC(CC(C3)C1)C2.CCOC1C2CC3CC(C2)CC1C3.CCOC1CC(C)CCC1C(C)C.CCOC1CCCC(C2CCCCC2)C1.CCOC1CCCCC1(C)C(C)(C)C.CCOCC12CC3CC(CC(C3)C1)C2.CCOCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H26O.2C13H22O.C13H26O.2C12H20O.C12H24O/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;1-6-14-11-9-7-8-10-13(11,5)12(2,3)4;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/h12-14H,2-11H2,1H3;10-12H,2-9H2,1H3;9-13H,2-8H2,1H3;11H,6-10H2,1-5H3;9-11H,2-8H2,1H3;8-12H,2-7H2,1H3;9-12H,5-8H2,1-4H3
InChIKeyJZZKTVLXROSBBO-UHFFFAOYSA-N
MW1342.25 g/mol
LogP23.84
Rot. Bonds18

About 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

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 (PubChem CID 159073779) has the molecular formula C89H160O7 and a molecular weight of 1342.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID159073779
Molecular FormulaC89H160O7
Molecular Weight1342.25 g/mol
Exact Mass1341.22
IUPAC Name1-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
SMILESCCOC12CC3CC(CC(C3)C1)C2.CCOC1C2CC3CC(C2)CC1C3.CCOC1CC(C)CCC1C(C)C.CCOC1CCCC(C2CCCCC2)C1.CCOC1CCCCC1(C)C(C)(C)C.CCOCC12CC3CC(CC(C3)C1)C2.CCOCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H26O.2C13H22O.C13H26O.2C12H20O.C12H24O/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;1-6-14-11-9-7-8-10-13(11,5)12(2,3)4;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/h12-14H,2-11H2,1H3;10-12H,2-9H2,1H3;9-13H,2-8H2,1H3;11H,6-10H2,1-5H3;9-11H,2-8H2,1H3;8-12H,2-7H2,1H3;9-12H,5-8H2,1-4H3
InChIKeyJZZKTVLXROSBBO-UHFFFAOYSA-N
XLogP23.84
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001342.25
LogP ≤ 523.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

1-cyclohexyl-3-ethoxycyclohexane;1-ethoxyadamantane;2-ethoxyadamantane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)adamantane
CID 161145663
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
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-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
2,2-dimethyl-1-propan-2-yloxypropane;1-ethoxyadamantane;2-ethoxybicyclo[2.2.1]heptane;1-(ethoxymethyl)adamantane;2-(ethoxymethyl)bicyclo[2.2.1]heptane;8-(ethoxymethyl)tricyclo[5.2.1.02,6]decane;8-ethoxytricyclo[5.2.1.02,6]decane;2-methyloxane;2-methyloxolane;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylcyclohexane;propan-2-yloxymethylcyclopentane
CID 157458690
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
tert-butyl acetate;tert-butyl propanoate;2-ethoxyadamantane;ethoxycyclohexane;1-(ethoxymethyl)adamantane;ethoxymethylbenzene;(1-ethylcyclohexyl) propanoate;(2-methyl-2-adamantyl) acetate;(2-methyl-2-adamantyl) propanoate;1-propan-2-yloxyadamantane;2-propan-2-yloxyadamantane
CID 159055062
1-cyclohexyl-1-(ethoxymethyl)cyclohexane;4-ethoxydispiro[2.1.25.23]nonane;[1-(ethoxymethyl)cyclopentyl]cyclohexane;5-(ethoxymethyl)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene;7-(ethoxymethyl)-7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;1-(ethoxymethyl)-1-propan-2-ylcyclohexane;1-(ethoxymethyl)-1-propan-2-ylcyclopentane
CID 162246223
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
trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane
CID 137488514

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC12CC3CC(CC(C3)C1)C2.CCOC1C2CC3CC(C2)CC1C3.CCOC1CC(C)CCC1C(C)C.CCOC1CCCC(C2CCCCC2)C1.CCOC1CCCCC1(C)C(C)(C)C.CCOCC12CC3CC(CC(C3)C1)C2.CCOCC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 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?
The InChIKey is JZZKTVLXROSBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O.2C13H22O.C13H26O.2C12H20O.C12H24O/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;1-6-14-11-9-7-8-10-13(11,5)12(2,3)4;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/h12-14H,2-11H2,1H3;10-12H,2-9H2,1H3;9-13H,2-8H2,1H3;11H,6-10H2,1-5H3;9-11H,2-8H2,1H3;8-12H,2-7H2,1H3;9-12H,5-8H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1342.25 g/mol, XLogP of 23.84, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159073779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).