1-cyclohexyl-4-[2-(2-methylpropoxy)ethoxy]benzene;1-methyl-2-[2-(2-methylpropoxy)ethoxy]-3-(trifluoromethyl)benzene;1-(2-methylpropoxy)adamantane;2-(2-methylpropoxy)ethoxybenzene;2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(2-methylpropoxy)ethylbenzene;2-(2-methylpropoxy)ethyl cyclohexanecarboxylate;2-methylpropoxymethylbenzene;2-methylpropoxymethylcyclohexane;2-(2-methylpropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-(2-methylpropoxy)oxolan-2-one

C157H253F3O24 — CID 158573179

IUPAC1-cyclohexyl-4-[2-(2-methylpropoxy)ethoxy]benzene;1-methyl-2-[2-(2-methylpropoxy)ethoxy]-3-(trifluoromethyl)benzene;1-(2-methylpropoxy)adamantane;2-(2-methylpropoxy)ethoxybenzene;2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(2-methylpropoxy)ethylbenzene;2-(2-methylpropoxy)ethyl cyclohexanecarboxylate;2-methylpropoxymethylbenzene;2-methylpropoxymethylcyclohexane;2-(2-methylpropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-(2-methylpropoxy)oxolan-2-one
SMILESCC(C)COC12CC3CC(C1)OC(=O)C(C3)C2.CC(C)COC12CC3CC(CC(C3)C1)C2.CC(C)COC1C2CC3C(=O)OC1C3C2.CC(C)COC1CCOC1=O.CC(C)COCC1CCCCC1.CC(C)COCCOC(=O)C1CCCCC1.CC(C)COCCOc1c(C(C)C)cccc1C(C)C.CC(C)COCCOc1ccc(C2CCCCC2)cc1.CC(C)COCCOc1ccccc1.CC(C)COCCc1ccccc1.CC(C)COCc1ccccc1.Cc1cccc(C(F)(F)F)c1OCCOCC(C)C
InChIInChI=1S/C18H28O2.C18H30O2.C14H19F3O2.C14H22O3.C14H24O.C13H24O3.C12H18O3.C12H18O2.C12H18O.C11H22O.C11H16O.C8H14O3/c1-15(2)14-19-12-13-20-18-10-8-17(9-11-18)16-6-4-3-5-7-16;1-13(2)12-19-10-11-20-18-16(14(3)4)8-7-9-17(18)15(5)6;1-10(2)9-18-7-8-19-13-11(3)5-4-6-12(13)14(15,16)17;1-9(2)8-16-14-5-10-3-11(6-14)13(15)17-12(4-10)7-14;1-10(2)9-15-14-6-11-3-12(7-14)5-13(4-11)8-14;1-11(2)10-15-8-9-16-13(14)12-6-4-3-5-7-12;1-6(2)5-14-10-7-3-8-9(4-7)12(13)15-11(8)10;1-11(2)10-13-8-9-14-12-6-4-3-5-7-12;1-11(2)10-13-9-8-12-6-4-3-5-7-12;2*1-10(2)8-12-9-11-6-4-3-5-7-11;1-6(2)5-11-7-3-4-10-8(7)9/h8-11,15-16H,3-7,12-14H2,1-2H3;7-9,13-15H,10-12H2,1-6H3;4-6,10H,7-9H2,1-3H3;9-12H,3-8H2,1-2H3;10-13H,3-9H2,1-2H3;11-12H,3-10H2,1-2H3;6-11H,3-5H2,1-2H3;3-7,11H,8-10H2,1-2H3;3-7,11H,8-10H2,1-2H3;10-11H,3-9H2,1-2H3;3-7,10H,8-9H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyHSIHWGMVOQJRFT-UHFFFAOYSA-N
MW2581.72 g/mol
LogP37.10
Rot. Bonds58

About 1-cyclohexyl-4-[2-(2-methylpropoxy)ethoxy]benzene;1-methyl-2-[2-(2-methylpropoxy)ethoxy]-3-(trifluoromethyl)benzene;1-(2-methylpropoxy)adamantane;2-(2-methylpropoxy)ethoxybenzene;2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(2-methylpropoxy)ethylbenzene;2-(2-methylpropoxy)ethyl cyclohexanecarboxylate;2-methylpropoxymethylbenzene;2-methylpropoxymethylcyclohexane;2-(2-methylpropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-(2-methylpropoxy)oxolan-2-one

1-cyclohexyl-4-[2-(2-methylpropoxy)ethoxy]benzene;1-methyl-2-[2-(2-methylpropoxy)ethoxy]-3-(trifluoromethyl)benzene;1-(2-methylpropoxy)adamantane;2-(2-methylpropoxy)ethoxybenzene;2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(2-methylpropoxy)ethylbenzene;2-(2-methylpropoxy)ethyl cyclohexanecarboxylate;2-methylpropoxymethylbenzene;2-methylpropoxymethylcyclohexane;2-(2-methylpropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-(2-methylpropoxy)oxolan-2-one (PubChem CID 158573179) has the molecular formula C157H253F3O24 and a molecular weight of 2581.72 g/mol. Its IUPAC name is 1-cyclohexyl-4-[2-(2-methylpropoxy)ethoxy]benzene;1-methyl-2-[2-(2-methylpropoxy)ethoxy]-3-(trifluoromethyl)benzene;1-(2-methylpropoxy)adamantane;2-(2-methylpropoxy)ethoxybenzene;2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(2-methylpropoxy)ethylbenzene;2-(2-methylpropoxy)ethyl cyclohexanecarboxylate;2-methylpropoxymethylbenzene;2-methylpropoxymethylcyclohexane;2-(2-methylpropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-(2-methylpropoxy)oxolan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[2-(2-methylpropoxy)ethoxy]benzene;1-methyl-2-[2-(2-methylpropoxy)ethoxy]-3-(trifluoromethyl)benzene;1-(2-methylpropoxy)adamantane;2-(2-methylpropoxy)ethoxybenzene;2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(2-methylpropoxy)ethylbenzene;2-(2-methylpropoxy)ethyl cyclohexanecarboxylate;2-methylpropoxymethylbenzene;2-methylpropoxymethylcyclohexane;2-(2-methylpropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-(2-methylpropoxy)oxolan-2-one
PubChem CID158573179
Molecular FormulaC157H253F3O24
Molecular Weight2581.72 g/mol
Exact Mass2579.85
IUPAC Name1-cyclohexyl-4-[2-(2-methylpropoxy)ethoxy]benzene;1-methyl-2-[2-(2-methylpropoxy)ethoxy]-3-(trifluoromethyl)benzene;1-(2-methylpropoxy)adamantane;2-(2-methylpropoxy)ethoxybenzene;2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(2-methylpropoxy)ethylbenzene;2-(2-methylpropoxy)ethyl cyclohexanecarboxylate;2-methylpropoxymethylbenzene;2-methylpropoxymethylcyclohexane;2-(2-methylpropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-(2-methylpropoxy)oxolan-2-one
SMILESCC(C)COC12CC3CC(C1)OC(=O)C(C3)C2.CC(C)COC12CC3CC(CC(C3)C1)C2.CC(C)COC1C2CC3C(=O)OC1C3C2.CC(C)COC1CCOC1=O.CC(C)COCC1CCCCC1.CC(C)COCCOC(=O)C1CCCCC1.CC(C)COCCOc1c(C(C)C)cccc1C(C)C.CC(C)COCCOc1ccc(C2CCCCC2)cc1.CC(C)COCCOc1ccccc1.CC(C)COCCc1ccccc1.CC(C)COCc1ccccc1.Cc1cccc(C(F)(F)F)c1OCCOCC(C)C
InChIInChI=1S/C18H28O2.C18H30O2.C14H19F3O2.C14H22O3.C14H24O.C13H24O3.C12H18O3.C12H18O2.C12H18O.C11H22O.C11H16O.C8H14O3/c1-15(2)14-19-12-13-20-18-10-8-17(9-11-18)16-6-4-3-5-7-16;1-13(2)12-19-10-11-20-18-16(14(3)4)8-7-9-17(18)15(5)6;1-10(2)9-18-7-8-19-13-11(3)5-4-6-12(13)14(15,16)17;1-9(2)8-16-14-5-10-3-11(6-14)13(15)17-12(4-10)7-14;1-10(2)9-15-14-6-11-3-12(7-14)5-13(4-11)8-14;1-11(2)10-15-8-9-16-13(14)12-6-4-3-5-7-12;1-6(2)5-14-10-7-3-8-9(4-7)12(13)15-11(8)10;1-11(2)10-13-8-9-14-12-6-4-3-5-7-12;1-11(2)10-13-9-8-12-6-4-3-5-7-12;2*1-10(2)8-12-9-11-6-4-3-5-7-11;1-6(2)5-11-7-3-4-10-8(7)9/h8-11,15-16H,3-7,12-14H2,1-2H3;7-9,13-15H,10-12H2,1-6H3;4-6,10H,7-9H2,1-3H3;9-12H,3-8H2,1-2H3;10-13H,3-9H2,1-2H3;11-12H,3-10H2,1-2H3;6-11H,3-5H2,1-2H3;3-7,11H,8-10H2,1-2H3;3-7,11H,8-10H2,1-2H3;10-11H,3-9H2,1-2H3;3-7,10H,8-9H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyHSIHWGMVOQJRFT-UHFFFAOYSA-N
XLogP37.10
TPSA252.88 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds58
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002581.72
LogP ≤ 537.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-4-[2-(2-methylpropoxy)ethoxy]benzene;1-methyl-2-[2-(2-methylpropoxy)ethoxy]-3-(trifluoromethyl)benzene;1-(2-methylpropoxy)adamantane;2-(2-methylpropoxy)ethoxybenzene;2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(2-methylpropoxy)ethylbenzene;2-(2-methylpropoxy)ethyl cyclohexanecarboxylate;2-methylpropoxymethylbenzene;2-methylpropoxymethylcyclohexane;2-(2-methylpropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-(2-methylpropoxy)oxolan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[2-(2-methylpropoxy)ethoxy]benzene;1-methyl-2-[2-(2-methylpropoxy)ethoxy]-3-(trifluoromethyl)benzene;1-(2-methylpropoxy)adamantane;2-(2-methylpropoxy)ethoxybenzene;2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(2-methylpropoxy)ethylbenzene;2-(2-methylpropoxy)ethyl cyclohexanecarboxylate;2-methylpropoxymethylbenzene;2-methylpropoxymethylcyclohexane;2-(2-methylpropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-(2-methylpropoxy)oxolan-2-one?
The IUPAC name of 1-cyclohexyl-4-[2-(2-methylpropoxy)ethoxy]benzene;1-methyl-2-[2-(2-methylpropoxy)ethoxy]-3-(trifluoromethyl)benzene;1-(2-methylpropoxy)adamantane;2-(2-methylpropoxy)ethoxybenzene;2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(2-methylpropoxy)ethylbenzene;2-(2-methylpropoxy)ethyl cyclohexanecarboxylate;2-methylpropoxymethylbenzene;2-methylpropoxymethylcyclohexane;2-(2-methylpropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-(2-methylpropoxy)oxolan-2-one (CID 158573179) is 1-cyclohexyl-4-[2-(2-methylpropoxy)ethoxy]benzene;1-methyl-2-[2-(2-methylpropoxy)ethoxy]-3-(trifluoromethyl)benzene;1-(2-methylpropoxy)adamantane;2-(2-methylpropoxy)ethoxybenzene;2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(2-methylpropoxy)ethylbenzene;2-(2-methylpropoxy)ethyl cyclohexanecarboxylate;2-methylpropoxymethylbenzene;2-methylpropoxymethylcyclohexane;2-(2-methylpropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-(2-methylpropoxy)oxolan-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[2-(2-methylpropoxy)ethoxy]benzene;1-methyl-2-[2-(2-methylpropoxy)ethoxy]-3-(trifluoromethyl)benzene;1-(2-methylpropoxy)adamantane;2-(2-methylpropoxy)ethoxybenzene;2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(2-methylpropoxy)ethylbenzene;2-(2-methylpropoxy)ethyl cyclohexanecarboxylate;2-methylpropoxymethylbenzene;2-methylpropoxymethylcyclohexane;2-(2-methylpropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-(2-methylpropoxy)oxolan-2-one?
The canonical SMILES for 1-cyclohexyl-4-[2-(2-methylpropoxy)ethoxy]benzene;1-methyl-2-[2-(2-methylpropoxy)ethoxy]-3-(trifluoromethyl)benzene;1-(2-methylpropoxy)adamantane;2-(2-methylpropoxy)ethoxybenzene;2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(2-methylpropoxy)ethylbenzene;2-(2-methylpropoxy)ethyl cyclohexanecarboxylate;2-methylpropoxymethylbenzene;2-methylpropoxymethylcyclohexane;2-(2-methylpropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-(2-methylpropoxy)oxolan-2-one is CC(C)COC12CC3CC(C1)OC(=O)C(C3)C2.CC(C)COC12CC3CC(CC(C3)C1)C2.CC(C)COC1C2CC3C(=O)OC1C3C2.CC(C)COC1CCOC1=O.CC(C)COCC1CCCCC1.CC(C)COCCOC(=O)C1CCCCC1.CC(C)COCCOc1c(C(C)C)cccc1C(C)C.CC(C)COCCOc1ccc(C2CCCCC2)cc1.CC(C)COCCOc1ccccc1.CC(C)COCCc1ccccc1.CC(C)COCc1ccccc1.Cc1cccc(C(F)(F)F)c1OCCOCC(C)C.
What is the InChIKey of 1-cyclohexyl-4-[2-(2-methylpropoxy)ethoxy]benzene;1-methyl-2-[2-(2-methylpropoxy)ethoxy]-3-(trifluoromethyl)benzene;1-(2-methylpropoxy)adamantane;2-(2-methylpropoxy)ethoxybenzene;2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(2-methylpropoxy)ethylbenzene;2-(2-methylpropoxy)ethyl cyclohexanecarboxylate;2-methylpropoxymethylbenzene;2-methylpropoxymethylcyclohexane;2-(2-methylpropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-(2-methylpropoxy)oxolan-2-one?
The InChIKey is HSIHWGMVOQJRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2.C18H30O2.C14H19F3O2.C14H22O3.C14H24O.C13H24O3.C12H18O3.C12H18O2.C12H18O.C11H22O.C11H16O.C8H14O3/c1-15(2)14-19-12-13-20-18-10-8-17(9-11-18)16-6-4-3-5-7-16;1-13(2)12-19-10-11-20-18-16(14(3)4)8-7-9-17(18)15(5)6;1-10(2)9-18-7-8-19-13-11(3)5-4-6-12(13)14(15,16)17;1-9(2)8-16-14-5-10-3-11(6-14)13(15)17-12(4-10)7-14;1-10(2)9-15-14-6-11-3-12(7-14)5-13(4-11)8-14;1-11(2)10-15-8-9-16-13(14)12-6-4-3-5-7-12;1-6(2)5-14-10-7-3-8-9(4-7)12(13)15-11(8)10;1-11(2)10-13-8-9-14-12-6-4-3-5-7-12;1-11(2)10-13-9-8-12-6-4-3-5-7-12;2*1-10(2)8-12-9-11-6-4-3-5-7-11;1-6(2)5-11-7-3-4-10-8(7)9/h8-11,15-16H,3-7,12-14H2,1-2H3;7-9,13-15H,10-12H2,1-6H3;4-6,10H,7-9H2,1-3H3;9-12H,3-8H2,1-2H3;10-13H,3-9H2,1-2H3;11-12H,3-10H2,1-2H3;6-11H,3-5H2,1-2H3;3-7,11H,8-10H2,1-2H3;3-7,11H,8-10H2,1-2H3;10-11H,3-9H2,1-2H3;3-7,10H,8-9H2,1-2H3;6-7H,3-5H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-[2-(2-methylpropoxy)ethoxy]benzene;1-methyl-2-[2-(2-methylpropoxy)ethoxy]-3-(trifluoromethyl)benzene;1-(2-methylpropoxy)adamantane;2-(2-methylpropoxy)ethoxybenzene;2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(2-methylpropoxy)ethylbenzene;2-(2-methylpropoxy)ethyl cyclohexanecarboxylate;2-methylpropoxymethylbenzene;2-methylpropoxymethylcyclohexane;2-(2-methylpropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-(2-methylpropoxy)oxolan-2-one?
1-cyclohexyl-4-[2-(2-methylpropoxy)ethoxy]benzene;1-methyl-2-[2-(2-methylpropoxy)ethoxy]-3-(trifluoromethyl)benzene;1-(2-methylpropoxy)adamantane;2-(2-methylpropoxy)ethoxybenzene;2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(2-methylpropoxy)ethylbenzene;2-(2-methylpropoxy)ethyl cyclohexanecarboxylate;2-methylpropoxymethylbenzene;2-methylpropoxymethylcyclohexane;2-(2-methylpropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-(2-methylpropoxy)oxolan-2-one has a molecular weight of 2581.72 g/mol, XLogP of 37.10, 58 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[2-(2-methylpropoxy)ethoxy]benzene;1-methyl-2-[2-(2-methylpropoxy)ethoxy]-3-(trifluoromethyl)benzene;1-(2-methylpropoxy)adamantane;2-(2-methylpropoxy)ethoxybenzene;2-[2-(2-methylpropoxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(2-methylpropoxy)ethylbenzene;2-(2-methylpropoxy)ethyl cyclohexanecarboxylate;2-methylpropoxymethylbenzene;2-methylpropoxymethylcyclohexane;2-(2-methylpropoxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-(2-methylpropoxy)-4-oxatricyclo[4.3.1.13,8]undecan-5-one;3-(2-methylpropoxy)oxolan-2-one is sourced from PubChem (CID 158573179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).