ethoxycyclohexane;ethoxycyclopentane;1-ethoxy-2,2-dimethylpropane;ethoxyethane;2-ethoxy-2-methylbutane;ethoxymethylcyclohexane;ethoxymethylcyclopentane;2-ethoxy-2-methylpropane;1-ethoxypropane;bis(2-ethoxypropane);methoxyethane;2-methoxypropane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane

C105H236O17 — CID 157110008

IUPACethoxycyclohexane;ethoxycyclopentane;1-ethoxy-2,2-dimethylpropane;ethoxyethane;2-ethoxy-2-methylbutane;ethoxymethylcyclohexane;ethoxymethylcyclopentane;2-ethoxy-2-methylpropane;1-ethoxypropane;bis(2-ethoxypropane);methoxyethane;2-methoxypropane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane
SMILESCC(C)OC(C)(C)C.CC(C)OC(C)C.CCC(C)(C)OC(C)C.CCCOC(C)C.CCCOCC.CCOC.CCOC(C)(C)C.CCOC(C)(C)CC.CCOC(C)C.CCOC(C)C.CCOC1CCCC1.CCOC1CCCCC1.CCOCC.CCOCC(C)(C)C.CCOCC1CCCC1.CCOCC1CCCCC1.COC(C)C
InChIInChI=1S/C9H18O.2C8H16O.C8H18O.C7H14O.3C7H16O.3C6H14O.3C5H12O.2C4H10O.C3H8O/c1-2-10-8-9-6-4-3-5-7-9;1-2-9-7-8-5-3-4-6-8;1-2-9-8-6-4-3-5-7-8;1-6-8(4,5)9-7(2)3;1-2-8-7-5-3-4-6-7;1-6(2)8-7(3,4)5;1-5-8-6-7(2,3)4;1-5-7(3,4)8-6-2;1-5-7-6(2,3)4;1-5(2)7-6(3)4;1-4-5-7-6(2)3;2*1-4-6-5(2)3;1-3-5-6-4-2;1-4(2)5-3;1-3-5-4-2;1-3-4-2/h9H,2-8H2,1H3;2*8H,2-7H2,1H3;7H,6H2,1-5H3;7H,2-6H2,1H3;6H,1-5H3;2*5-6H2,1-4H3;5H2,1-4H3;5-6H,1-4H3;6H,4-5H2,1-3H3;2*5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyAGSVQQBSKGRTLL-UHFFFAOYSA-N
MW1771.03 g/mol
LogP30.72
Rot. Bonds36

About ethoxycyclohexane;ethoxycyclopentane;1-ethoxy-2,2-dimethylpropane;ethoxyethane;2-ethoxy-2-methylbutane;ethoxymethylcyclohexane;ethoxymethylcyclopentane;2-ethoxy-2-methylpropane;1-ethoxypropane;bis(2-ethoxypropane);methoxyethane;2-methoxypropane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane

ethoxycyclohexane;ethoxycyclopentane;1-ethoxy-2,2-dimethylpropane;ethoxyethane;2-ethoxy-2-methylbutane;ethoxymethylcyclohexane;ethoxymethylcyclopentane;2-ethoxy-2-methylpropane;1-ethoxypropane;bis(2-ethoxypropane);methoxyethane;2-methoxypropane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane (PubChem CID 157110008) has the molecular formula C105H236O17 and a molecular weight of 1771.03 g/mol. Its IUPAC name is ethoxycyclohexane;ethoxycyclopentane;1-ethoxy-2,2-dimethylpropane;ethoxyethane;2-ethoxy-2-methylbutane;ethoxymethylcyclohexane;ethoxymethylcyclopentane;2-ethoxy-2-methylpropane;1-ethoxypropane;bis(2-ethoxypropane);methoxyethane;2-methoxypropane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane.

Molecular Properties

Compound Nameethoxycyclohexane;ethoxycyclopentane;1-ethoxy-2,2-dimethylpropane;ethoxyethane;2-ethoxy-2-methylbutane;ethoxymethylcyclohexane;ethoxymethylcyclopentane;2-ethoxy-2-methylpropane;1-ethoxypropane;bis(2-ethoxypropane);methoxyethane;2-methoxypropane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane
PubChem CID157110008
Molecular FormulaC105H236O17
Molecular Weight1771.03 g/mol
Exact Mass1769.76
IUPAC Nameethoxycyclohexane;ethoxycyclopentane;1-ethoxy-2,2-dimethylpropane;ethoxyethane;2-ethoxy-2-methylbutane;ethoxymethylcyclohexane;ethoxymethylcyclopentane;2-ethoxy-2-methylpropane;1-ethoxypropane;bis(2-ethoxypropane);methoxyethane;2-methoxypropane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane
SMILESCC(C)OC(C)(C)C.CC(C)OC(C)C.CCC(C)(C)OC(C)C.CCCOC(C)C.CCCOCC.CCOC.CCOC(C)(C)C.CCOC(C)(C)CC.CCOC(C)C.CCOC(C)C.CCOC1CCCC1.CCOC1CCCCC1.CCOCC.CCOCC(C)(C)C.CCOCC1CCCC1.CCOCC1CCCCC1.COC(C)C
InChIInChI=1S/C9H18O.2C8H16O.C8H18O.C7H14O.3C7H16O.3C6H14O.3C5H12O.2C4H10O.C3H8O/c1-2-10-8-9-6-4-3-5-7-9;1-2-9-7-8-5-3-4-6-8;1-2-9-8-6-4-3-5-7-8;1-6-8(4,5)9-7(2)3;1-2-8-7-5-3-4-6-7;1-6(2)8-7(3,4)5;1-5-8-6-7(2,3)4;1-5-7(3,4)8-6-2;1-5-7-6(2,3)4;1-5(2)7-6(3)4;1-4-5-7-6(2)3;2*1-4-6-5(2)3;1-3-5-6-4-2;1-4(2)5-3;1-3-5-4-2;1-3-4-2/h9H,2-8H2,1H3;2*8H,2-7H2,1H3;7H,6H2,1-5H3;7H,2-6H2,1H3;6H,1-5H3;2*5-6H2,1-4H3;5H2,1-4H3;5-6H,1-4H3;6H,4-5H2,1-3H3;2*5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyAGSVQQBSKGRTLL-UHFFFAOYSA-N
XLogP30.72
TPSA156.91 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds36
Heavy Atoms122
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001771.03
LogP ≤ 530.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze ethoxycyclohexane;ethoxycyclopentane;1-ethoxy-2,2-dimethylpropane;ethoxyethane;2-ethoxy-2-methylbutane;ethoxymethylcyclohexane;ethoxymethylcyclopentane;2-ethoxy-2-methylpropane;1-ethoxypropane;bis(2-ethoxypropane);methoxyethane;2-methoxypropane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethoxycyclohexane;ethoxycyclopentane;1-ethoxy-2,2-dimethylpropane;ethoxyethane;2-ethoxy-2-methylbutane;ethoxymethylcyclohexane;ethoxymethylcyclopentane;2-ethoxy-2-methylpropane;1-ethoxypropane;bis(2-ethoxypropane);methoxyethane;2-methoxypropane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane?
The IUPAC name of ethoxycyclohexane;ethoxycyclopentane;1-ethoxy-2,2-dimethylpropane;ethoxyethane;2-ethoxy-2-methylbutane;ethoxymethylcyclohexane;ethoxymethylcyclopentane;2-ethoxy-2-methylpropane;1-ethoxypropane;bis(2-ethoxypropane);methoxyethane;2-methoxypropane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane (CID 157110008) is ethoxycyclohexane;ethoxycyclopentane;1-ethoxy-2,2-dimethylpropane;ethoxyethane;2-ethoxy-2-methylbutane;ethoxymethylcyclohexane;ethoxymethylcyclopentane;2-ethoxy-2-methylpropane;1-ethoxypropane;bis(2-ethoxypropane);methoxyethane;2-methoxypropane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane.
What is the SMILES notation for ethoxycyclohexane;ethoxycyclopentane;1-ethoxy-2,2-dimethylpropane;ethoxyethane;2-ethoxy-2-methylbutane;ethoxymethylcyclohexane;ethoxymethylcyclopentane;2-ethoxy-2-methylpropane;1-ethoxypropane;bis(2-ethoxypropane);methoxyethane;2-methoxypropane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane?
The canonical SMILES for ethoxycyclohexane;ethoxycyclopentane;1-ethoxy-2,2-dimethylpropane;ethoxyethane;2-ethoxy-2-methylbutane;ethoxymethylcyclohexane;ethoxymethylcyclopentane;2-ethoxy-2-methylpropane;1-ethoxypropane;bis(2-ethoxypropane);methoxyethane;2-methoxypropane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane is CC(C)OC(C)(C)C.CC(C)OC(C)C.CCC(C)(C)OC(C)C.CCCOC(C)C.CCCOCC.CCOC.CCOC(C)(C)C.CCOC(C)(C)CC.CCOC(C)C.CCOC(C)C.CCOC1CCCC1.CCOC1CCCCC1.CCOCC.CCOCC(C)(C)C.CCOCC1CCCC1.CCOCC1CCCCC1.COC(C)C.
What is the InChIKey of ethoxycyclohexane;ethoxycyclopentane;1-ethoxy-2,2-dimethylpropane;ethoxyethane;2-ethoxy-2-methylbutane;ethoxymethylcyclohexane;ethoxymethylcyclopentane;2-ethoxy-2-methylpropane;1-ethoxypropane;bis(2-ethoxypropane);methoxyethane;2-methoxypropane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane?
The InChIKey is AGSVQQBSKGRTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.2C8H16O.C8H18O.C7H14O.3C7H16O.3C6H14O.3C5H12O.2C4H10O.C3H8O/c1-2-10-8-9-6-4-3-5-7-9;1-2-9-7-8-5-3-4-6-8;1-2-9-8-6-4-3-5-7-8;1-6-8(4,5)9-7(2)3;1-2-8-7-5-3-4-6-7;1-6(2)8-7(3,4)5;1-5-8-6-7(2,3)4;1-5-7(3,4)8-6-2;1-5-7-6(2,3)4;1-5(2)7-6(3)4;1-4-5-7-6(2)3;2*1-4-6-5(2)3;1-3-5-6-4-2;1-4(2)5-3;1-3-5-4-2;1-3-4-2/h9H,2-8H2,1H3;2*8H,2-7H2,1H3;7H,6H2,1-5H3;7H,2-6H2,1H3;6H,1-5H3;2*5-6H2,1-4H3;5H2,1-4H3;5-6H,1-4H3;6H,4-5H2,1-3H3;2*5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of ethoxycyclohexane;ethoxycyclopentane;1-ethoxy-2,2-dimethylpropane;ethoxyethane;2-ethoxy-2-methylbutane;ethoxymethylcyclohexane;ethoxymethylcyclopentane;2-ethoxy-2-methylpropane;1-ethoxypropane;bis(2-ethoxypropane);methoxyethane;2-methoxypropane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane?
ethoxycyclohexane;ethoxycyclopentane;1-ethoxy-2,2-dimethylpropane;ethoxyethane;2-ethoxy-2-methylbutane;ethoxymethylcyclohexane;ethoxymethylcyclopentane;2-ethoxy-2-methylpropane;1-ethoxypropane;bis(2-ethoxypropane);methoxyethane;2-methoxypropane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane has a molecular weight of 1771.03 g/mol, XLogP of 30.72, 36 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycyclohexane;ethoxycyclopentane;1-ethoxy-2,2-dimethylpropane;ethoxyethane;2-ethoxy-2-methylbutane;ethoxymethylcyclohexane;ethoxymethylcyclopentane;2-ethoxy-2-methylpropane;1-ethoxypropane;bis(2-ethoxypropane);methoxyethane;2-methoxypropane;2-methyl-2-propan-2-yloxybutane;2-methyl-2-propan-2-yloxypropane;1-propan-2-yloxypropane;2-propan-2-yloxypropane is sourced from PubChem (CID 157110008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).