4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;propan-2-yloxymethylcyclobutane;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;2-(2,2,2-trichloroethoxy)propane

C148H299Cl3O21 — CID 158536685

IUPAC4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;propan-2-yloxymethylcyclobutane;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;2-(2,2,2-trichloroethoxy)propane
SMILESC#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)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.CC(C)OCC(Cl)(Cl)Cl.CC(C)OCC1CCC1.CC1CCC(OC(C)C)CC1.CCC(CC)OC(C)C.CCOC(C)C
InChIInChI=1S/C12H24O.C10H20O.C10H18O.C8H16O2.C8H16O.3C8H18O.C7H14O.2C7H16O.C7H14O.2C7H12O.C6H14O.C6H12O.2C6H10O.C5H9Cl3O.C5H12O/c1-10(2)13-9-11(3)12-7-5-4-6-8-12;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)9-6-8-4-3-5-8;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;1-4(2)9-3-5(6,7)8;1-4-6-5(2)3/h10-12H,4-9H2,1-3H3;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;4H,3H2,1-2H3;5H,4H2,1-3H3
InChIKeyHOAJEPGZSAJAPV-UHFFFAOYSA-N
MW2521.36 g/mol
LogP41.56
Rot. Bonds48

About 4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;propan-2-yloxymethylcyclobutane;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;2-(2,2,2-trichloroethoxy)propane

4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;propan-2-yloxymethylcyclobutane;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;2-(2,2,2-trichloroethoxy)propane (PubChem CID 158536685) has the molecular formula C148H299Cl3O21 and a molecular weight of 2521.36 g/mol. Its IUPAC name is 4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;propan-2-yloxymethylcyclobutane;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;2-(2,2,2-trichloroethoxy)propane.

Molecular Properties

Compound Name4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;propan-2-yloxymethylcyclobutane;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;2-(2,2,2-trichloroethoxy)propane
PubChem CID158536685
Molecular FormulaC148H299Cl3O21
Molecular Weight2521.36 g/mol
Exact Mass2518.14
IUPAC Name4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;propan-2-yloxymethylcyclobutane;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;2-(2,2,2-trichloroethoxy)propane
SMILESC#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)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.CC(C)OCC(Cl)(Cl)Cl.CC(C)OCC1CCC1.CC1CCC(OC(C)C)CC1.CCC(CC)OC(C)C.CCOC(C)C
InChIInChI=1S/C12H24O.C10H20O.C10H18O.C8H16O2.C8H16O.3C8H18O.C7H14O.2C7H16O.C7H14O.2C7H12O.C6H14O.C6H12O.2C6H10O.C5H9Cl3O.C5H12O/c1-10(2)13-9-11(3)12-7-5-4-6-8-12;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)9-6-8-4-3-5-8;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;1-4(2)9-3-5(6,7)8;1-4-6-5(2)3/h10-12H,4-9H2,1-3H3;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;4H,3H2,1-2H3;5H,4H2,1-3H3
InChIKeyHOAJEPGZSAJAPV-UHFFFAOYSA-N
XLogP41.56
TPSA193.83 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds48
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002521.36
LogP ≤ 541.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;propan-2-yloxymethylcyclobutane;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;2-(2,2,2-trichloroethoxy)propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;propan-2-yloxymethylcyclobutane;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;2-(2,2,2-trichloroethoxy)propane?
The IUPAC name of 4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;propan-2-yloxymethylcyclobutane;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;2-(2,2,2-trichloroethoxy)propane (CID 158536685) is 4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;propan-2-yloxymethylcyclobutane;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;2-(2,2,2-trichloroethoxy)propane.
What is the SMILES notation for 4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;propan-2-yloxymethylcyclobutane;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;2-(2,2,2-trichloroethoxy)propane?
The canonical SMILES for 4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;propan-2-yloxymethylcyclobutane;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;2-(2,2,2-trichloroethoxy)propane is 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)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.CC(C)OCC(Cl)(Cl)Cl.CC(C)OCC1CCC1.CC1CCC(OC(C)C)CC1.CCC(CC)OC(C)C.CCOC(C)C.
What is the InChIKey of 4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;propan-2-yloxymethylcyclobutane;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;2-(2,2,2-trichloroethoxy)propane?
The InChIKey is HOAJEPGZSAJAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O.C10H20O.C10H18O.C8H16O2.C8H16O.3C8H18O.C7H14O.2C7H16O.C7H14O.2C7H12O.C6H14O.C6H12O.2C6H10O.C5H9Cl3O.C5H12O/c1-10(2)13-9-11(3)12-7-5-4-6-8-12;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)9-6-8-4-3-5-8;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;1-4(2)9-3-5(6,7)8;1-4-6-5(2)3/h10-12H,4-9H2,1-3H3;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;4H,3H2,1-2H3;5H,4H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;propan-2-yloxymethylcyclobutane;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;2-(2,2,2-trichloroethoxy)propane?
4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;propan-2-yloxymethylcyclobutane;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;2-(2,2,2-trichloroethoxy)propane has a molecular weight of 2521.36 g/mol, XLogP of 41.56, 48 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-propan-2-yloxypent-2-yne;2,2-dimethyl-1-propan-2-yloxypropane;2-ethoxypropane;2-methyl-3-propan-2-yloxybutane;1-methyl-4-propan-2-yloxycyclohexane;2-methyl-1-propan-2-yloxypropane;2-methyl-2-propan-2-yloxypropane;2-methyl-3-propan-2-yloxyprop-1-ene;1-propan-2-yloxybut-2-yne;4-propan-2-yloxybut-1-yne;propan-2-yloxycyclobutane;propan-2-yloxymethylcyclobutane;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;2-(2,2,2-trichloroethoxy)propane is sourced from PubChem (CID 158536685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).