ethoxybenzene;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxycyclopentane;2-ethoxyethylbenzene;2-(2-ethoxyethyl)bicyclo[2.2.1]heptane;2-ethoxyethylcyclohexane;ethoxymethylbenzene;2-(ethoxymethyl)bicyclo[2.2.1]heptane;ethoxymethylcyclohexane;2-ethoxy-2-methylpropane;2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane;2-methoxy-2-methylpropane

C114H206O13 — CID 162171566

About ethoxybenzene;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxycyclopentane;2-ethoxyethylbenzene;2-(2-ethoxyethyl)bicyclo[2.2.1]heptane;2-ethoxyethylcyclohexane;ethoxymethylbenzene;2-(ethoxymethyl)bicyclo[2.2.1]heptane;ethoxymethylcyclohexane;2-ethoxy-2-methylpropane;2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane;2-methoxy-2-methylpropane

ethoxybenzene;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxycyclopentane;2-ethoxyethylbenzene;2-(2-ethoxyethyl)bicyclo[2.2.1]heptane;2-ethoxyethylcyclohexane;ethoxymethylbenzene;2-(ethoxymethyl)bicyclo[2.2.1]heptane;ethoxymethylcyclohexane;2-ethoxy-2-methylpropane;2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane;2-methoxy-2-methylpropane (PubChem CID 162171566) has the molecular formula C114H206O13 and a molecular weight of 1784.89 g/mol. Its IUPAC name is ethoxybenzene;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxycyclopentane;2-ethoxyethylbenzene;2-(2-ethoxyethyl)bicyclo[2.2.1]heptane;2-ethoxyethylcyclohexane;ethoxymethylbenzene;2-(ethoxymethyl)bicyclo[2.2.1]heptane;ethoxymethylcyclohexane;2-ethoxy-2-methylpropane;2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane;2-methoxy-2-methylpropane.

Molecular Properties

• Compound Name: ethoxybenzene;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxycyclopentane;2-ethoxyethylbenzene;2-(2-ethoxyethyl)bicyclo[2.2.1]heptane;2-ethoxyethylcyclohexane;ethoxymethylbenzene;2-(ethoxymethyl)bicyclo[2.2.1]heptane;ethoxymethylcyclohexane;2-ethoxy-2-methylpropane;2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane;2-methoxy-2-methylpropane
• PubChem CID: 162171566
• Molecular Formula: C114H206O13
• Molecular Weight: 1784.89 g/mol
• Exact Mass: 1783.55
• IUPAC Name: ethoxybenzene;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxycyclopentane;2-ethoxyethylbenzene;2-(2-ethoxyethyl)bicyclo[2.2.1]heptane;2-ethoxyethylcyclohexane;ethoxymethylbenzene;2-(ethoxymethyl)bicyclo[2.2.1]heptane;ethoxymethylcyclohexane;2-ethoxy-2-methylpropane;2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane;2-methoxy-2-methylpropane
• SMILES: CCOC(C)(C)C.CCOC1CC2CCC1(C)C2(C)C.CCOC1CC2CCC1C2.CCOC1CCCC1.CCOC1CCCCC1.CCOCC1CC2CCC1C2.CCOCC1CCCCC1.CCOCCC1CC2CCC1C2.CCOCCC1CCCCC1.CCOCCc1ccccc1.CCOCc1ccccc1.CCOc1ccccc1.COC(C)(C)C
• InChI: InChI=1S/C12H22O.C11H20O.C10H18O.C10H20O.C10H14O.C9H16O.C9H18O.C9H12O.C8H16O.C8H10O.C7H14O.C6H14O.C5H12O/c1-5-13-10-8-9-6-7-12(10,4)11(9,2)3;1-2-12-6-5-11-8-9-3-4-10(11)7-9;1-2-11-7-10-6-8-3-4-9(10)5-8;2*1-2-11-9-8-10-6-4-3-5-7-10;1-2-10-9-6-7-3-4-8(9)5-7;2*1-2-10-8-9-6-4-3-5-7-9;2*1-2-9-8-6-4-3-5-7-8;1-2-8-7-5-3-4-6-7;1-5-7-6(2,3)4;1-5(2,3)6-4/h9-10H,5-8H2,1-4H3;9-11H,2-8H2,1H3;8-10H,2-7H2,1H3;10H,2-9H2,1H3;3-7H,2,8-9H2,1H3;7-9H,2-6H2,1H3;9H,2-8H2,1H3;3-7H,2,8H2,1H3;8H,2-7H2,1H3;3-7H,2H2,1H3;7H,2-6H2,1H3;5H2,1-4H3;1-4H3
• InChIKey: ZNWBBCDJNKLQLV-UHFFFAOYSA-N
• XLogP: 30.50
• TPSA: 119.99 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 32
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1784.89
LogP ≤ 5	30.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethoxybenzene;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxycyclopentane;2-ethoxyethylbenzene;2-(2-ethoxyethyl)bicyclo[2.2.1]heptane;2-ethoxyethylcyclohexane;ethoxymethylbenzene;2-(ethoxymethyl)bicyclo[2.2.1]heptane;ethoxymethylcyclohexane;2-ethoxy-2-methylpropane;2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane;2-methoxy-2-methylpropane?

The IUPAC name of ethoxybenzene;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxycyclopentane;2-ethoxyethylbenzene;2-(2-ethoxyethyl)bicyclo[2.2.1]heptane;2-ethoxyethylcyclohexane;ethoxymethylbenzene;2-(ethoxymethyl)bicyclo[2.2.1]heptane;ethoxymethylcyclohexane;2-ethoxy-2-methylpropane;2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane;2-methoxy-2-methylpropane (CID 162171566) is ethoxybenzene;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxycyclopentane;2-ethoxyethylbenzene;2-(2-ethoxyethyl)bicyclo[2.2.1]heptane;2-ethoxyethylcyclohexane;ethoxymethylbenzene;2-(ethoxymethyl)bicyclo[2.2.1]heptane;ethoxymethylcyclohexane;2-ethoxy-2-methylpropane;2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane;2-methoxy-2-methylpropane.

What is the SMILES notation for ethoxybenzene;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxycyclopentane;2-ethoxyethylbenzene;2-(2-ethoxyethyl)bicyclo[2.2.1]heptane;2-ethoxyethylcyclohexane;ethoxymethylbenzene;2-(ethoxymethyl)bicyclo[2.2.1]heptane;ethoxymethylcyclohexane;2-ethoxy-2-methylpropane;2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane;2-methoxy-2-methylpropane?

The canonical SMILES for ethoxybenzene;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxycyclopentane;2-ethoxyethylbenzene;2-(2-ethoxyethyl)bicyclo[2.2.1]heptane;2-ethoxyethylcyclohexane;ethoxymethylbenzene;2-(ethoxymethyl)bicyclo[2.2.1]heptane;ethoxymethylcyclohexane;2-ethoxy-2-methylpropane;2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane;2-methoxy-2-methylpropane is CCOC(C)(C)C.CCOC1CC2CCC1(C)C2(C)C.CCOC1CC2CCC1C2.CCOC1CCCC1.CCOC1CCCCC1.CCOCC1CC2CCC1C2.CCOCC1CCCCC1.CCOCCC1CC2CCC1C2.CCOCCC1CCCCC1.CCOCCc1ccccc1.CCOCc1ccccc1.CCOc1ccccc1.COC(C)(C)C.

What is the InChIKey of ethoxybenzene;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxycyclopentane;2-ethoxyethylbenzene;2-(2-ethoxyethyl)bicyclo[2.2.1]heptane;2-ethoxyethylcyclohexane;ethoxymethylbenzene;2-(ethoxymethyl)bicyclo[2.2.1]heptane;ethoxymethylcyclohexane;2-ethoxy-2-methylpropane;2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane;2-methoxy-2-methylpropane?

The InChIKey is ZNWBBCDJNKLQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O.C11H20O.C10H18O.C10H20O.C10H14O.C9H16O.C9H18O.C9H12O.C8H16O.C8H10O.C7H14O.C6H14O.C5H12O/c1-5-13-10-8-9-6-7-12(10,4)11(9,2)3;1-2-12-6-5-11-8-9-3-4-10(11)7-9;1-2-11-7-10-6-8-3-4-9(10)5-8;2*1-2-11-9-8-10-6-4-3-5-7-10;1-2-10-9-6-7-3-4-8(9)5-7;2*1-2-10-8-9-6-4-3-5-7-9;2*1-2-9-8-6-4-3-5-7-8;1-2-8-7-5-3-4-6-7;1-5-7-6(2,3)4;1-5(2,3)6-4/h9-10H,5-8H2,1-4H3;9-11H,2-8H2,1H3;8-10H,2-7H2,1H3;10H,2-9H2,1H3;3-7H,2,8-9H2,1H3;7-9H,2-6H2,1H3;9H,2-8H2,1H3;3-7H,2,8H2,1H3;8H,2-7H2,1H3;3-7H,2H2,1H3;7H,2-6H2,1H3;5H2,1-4H3;1-4H3.

What are the key properties of ethoxybenzene;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxycyclopentane;2-ethoxyethylbenzene;2-(2-ethoxyethyl)bicyclo[2.2.1]heptane;2-ethoxyethylcyclohexane;ethoxymethylbenzene;2-(ethoxymethyl)bicyclo[2.2.1]heptane;ethoxymethylcyclohexane;2-ethoxy-2-methylpropane;2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane;2-methoxy-2-methylpropane?

ethoxybenzene;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxycyclopentane;2-ethoxyethylbenzene;2-(2-ethoxyethyl)bicyclo[2.2.1]heptane;2-ethoxyethylcyclohexane;ethoxymethylbenzene;2-(ethoxymethyl)bicyclo[2.2.1]heptane;ethoxymethylcyclohexane;2-ethoxy-2-methylpropane;2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane;2-methoxy-2-methylpropane has a molecular weight of 1784.89 g/mol, XLogP of 30.50, 32 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for ethoxybenzene;2-ethoxybicyclo[2.2.1]heptane;ethoxycyclohexane;ethoxycyclopentane;2-ethoxyethylbenzene;2-(2-ethoxyethyl)bicyclo[2.2.1]heptane;2-ethoxyethylcyclohexane;ethoxymethylbenzene;2-(ethoxymethyl)bicyclo[2.2.1]heptane;ethoxymethylcyclohexane;2-ethoxy-2-methylpropane;2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane;2-methoxy-2-methylpropane is sourced from PubChem (CID 162171566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).