C159H324O22 — CID 160595082
4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;bis(2-ethoxypropane);2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;1-methyl-4-(propan-2-yloxymethyl)cyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;2-methylpropoxycyclobutane;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;4-propan-2-yloxyoxane;3-propan-2-yloxypentane;2-propan-2-yloxypropane;1-propan-2-yloxypropan-2-ylcyclohexane;1-propan-2-yloxyprop-1-yne;2-prop-2-enoxypropane;2-prop-2-ynoxypropane (PubChem CID 160595082) has the molecular formula C159H324O22 and a molecular weight of 2588.32 g/mol. Its IUPAC name is 4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;bis(2-ethoxypropane);2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;1-methyl-4-(propan-2-yloxymethyl)cyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;2-methylpropoxycyclobutane;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;4-propan-2-yloxyoxane;3-propan-2-yloxypentane;2-propan-2-yloxypropane;1-propan-2-yloxypropan-2-ylcyclohexane;1-propan-2-yloxyprop-1-yne;2-prop-2-enoxypropane;2-prop-2-ynoxypropane.
| Compound Name | 4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;bis(2-ethoxypropane);2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;1-methyl-4-(propan-2-yloxymethyl)cyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;2-methylpropoxycyclobutane;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;4-propan-2-yloxyoxane;3-propan-2-yloxypentane;2-propan-2-yloxypropane;1-propan-2-yloxypropan-2-ylcyclohexane;1-propan-2-yloxyprop-1-yne;2-prop-2-enoxypropane;2-prop-2-ynoxypropane |
|---|---|
| PubChem CID | 160595082 |
| Molecular Formula | C159H324O22 |
| Molecular Weight | 2588.32 g/mol |
| Exact Mass | 2586.42 |
| IUPAC Name | 4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;bis(2-ethoxypropane);2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;1-methyl-4-(propan-2-yloxymethyl)cyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;2-methylpropoxycyclobutane;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;4-propan-2-yloxyoxane;3-propan-2-yloxypentane;2-propan-2-yloxypropane;1-propan-2-yloxypropan-2-ylcyclohexane;1-propan-2-yloxyprop-1-yne;2-prop-2-enoxypropane;2-prop-2-ynoxypropane |
| SMILES | C#CCCOC(C)C.C#CCOC(C)C.C=C(C)COC(C)C.C=CCOC(C)C.CC#CCOC(C)C.CC#COC(C)C.CC(C)COC(C)C.CC(C)COC1CCC1.CC(C)OC(C)(C)C.CC(C)OC(C)C.CC(C)OC(C)C(C)C.CC(C)OC1CCC1.CC(C)OC1CCOCC1.CC(C)OCC#CC(C)(C)C.CC(C)OCC(C)(C)C.CC(C)OCC(C)C1CCCCC1.CC1CCC(COC(C)C)CC1.CC1CCC(OC(C)C)CC1.CCC(CC)OC(C)C.CCOC(C)C.CCOC(C)C |
| InChI | InChI=1S/C12H24O.C11H22O.C10H20O.C10H18O.C8H16O2.C8H16O.3C8H18O.C7H14O.2C7H16O.C7H14O.2C7H12O.C6H14O.C6H12O.2C6H10O.2C5H12O/c1-10(2)13-9-11(3)12-7-5-4-6-8-12;1-9(2)12-8-11-6-4-10(3)5-7-11;1-8(2)11-10-6-4-9(3)5-7-10;1-9(2)11-8-6-7-10(3,4)5;1-7(2)10-8-3-5-9-6-4-8;1-7(2)6-9-8-4-3-5-8;1-7(2)9-6-8(3,4)5;1-6(2)8(5)9-7(3)4;1-5-8(6-2)9-7(3)4;1-6(2)8-7-4-3-5-7;1-6(2)8-7(3,4)5;2*1-6(2)5-8-7(3)4;2*1-4-5-6-8-7(2)3;1-5(2)7-6(3)4;3*1-4-5-7-6(2)3;2*1-4-6-5(2)3/h10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;9H,8H2,1-5H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,6H2,1-5H3;6-8H,1-5H3;7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;7H,1,5H2,2-4H3;7H,6H2,1-3H3;1,7H,5-6H2,2-3H3;5-6H,1-4H3;4,6H,1,5H2,2-3H3;6H,1-3H3;1,6H,5H2,2-3H3;2*5H,4H2,1-3H3 |
| InChIKey | RDNFTYSXYSRJCC-UHFFFAOYSA-N |
| XLogP | 43.45 |
| TPSA | 203.06 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 181 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2588.32 |
| LogP ≤ 5 | 43.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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