3-(methoxymethoxy)-3-methylbut-1-yne;2-methyl-3-[(2-methylpropan-2-yl)oxymethoxy]prop-1-ene;(E)-1-[(2-methylpropan-2-yl)oxymethoxy]pent-2-ene;2-[(2-methylpropan-2-yl)oxy]oxane;2-methyl-2-(prop-2-enoxymethoxy)propane;2-methyl-2-(propoxymethoxy)propane;2-methyl-2-(prop-2-ynoxymethoxy)propane

C59H116O14 — CID 158143083

IUPAC3-(methoxymethoxy)-3-methylbut-1-yne;2-methyl-3-[(2-methylpropan-2-yl)oxymethoxy]prop-1-ene;(E)-1-[(2-methylpropan-2-yl)oxymethoxy]pent-2-ene;2-[(2-methylpropan-2-yl)oxy]oxane;2-methyl-2-(prop-2-enoxymethoxy)propane;2-methyl-2-(propoxymethoxy)propane;2-methyl-2-(prop-2-ynoxymethoxy)propane
SMILESC#CC(C)(C)OCOC.C#CCOCOC(C)(C)C.C=C(C)COCOC(C)(C)C.C=CCOCOC(C)(C)C.CC(C)(C)OC1CCCCO1.CC/C=C/COCOC(C)(C)C.CCCOCOC(C)(C)C
InChIInChI=1S/C10H20O2.2C9H18O2.C8H18O2.C8H16O2.C8H14O2.C7H12O2/c1-5-6-7-8-11-9-12-10(2,3)4;1-9(2,3)11-8-6-4-5-7-10-8;1-8(2)6-10-7-11-9(3,4)5;3*1-5-6-9-7-10-8(2,3)4;1-5-7(2,3)9-6-8-4/h6-7H,5,8-9H2,1-4H3;8H,4-7H2,1-3H3;1,6-7H2,2-5H3;5-7H2,1-4H3;5H,1,6-7H2,2-4H3;1H,6-7H2,2-4H3;1H,6H2,2-4H3/b7-6+;;;;;;
InChIKeyFUEKADLCVYGSTK-ODQXZWMDSA-N
MW1049.56 g/mol
LogP14.00
Rot. Bonds24

About 3-(methoxymethoxy)-3-methylbut-1-yne;2-methyl-3-[(2-methylpropan-2-yl)oxymethoxy]prop-1-ene;(E)-1-[(2-methylpropan-2-yl)oxymethoxy]pent-2-ene;2-[(2-methylpropan-2-yl)oxy]oxane;2-methyl-2-(prop-2-enoxymethoxy)propane;2-methyl-2-(propoxymethoxy)propane;2-methyl-2-(prop-2-ynoxymethoxy)propane

3-(methoxymethoxy)-3-methylbut-1-yne;2-methyl-3-[(2-methylpropan-2-yl)oxymethoxy]prop-1-ene;(E)-1-[(2-methylpropan-2-yl)oxymethoxy]pent-2-ene;2-[(2-methylpropan-2-yl)oxy]oxane;2-methyl-2-(prop-2-enoxymethoxy)propane;2-methyl-2-(propoxymethoxy)propane;2-methyl-2-(prop-2-ynoxymethoxy)propane (PubChem CID 158143083) has the molecular formula C59H116O14 and a molecular weight of 1049.56 g/mol. Its IUPAC name is 3-(methoxymethoxy)-3-methylbut-1-yne;2-methyl-3-[(2-methylpropan-2-yl)oxymethoxy]prop-1-ene;(E)-1-[(2-methylpropan-2-yl)oxymethoxy]pent-2-ene;2-[(2-methylpropan-2-yl)oxy]oxane;2-methyl-2-(prop-2-enoxymethoxy)propane;2-methyl-2-(propoxymethoxy)propane;2-methyl-2-(prop-2-ynoxymethoxy)propane.

Molecular Properties

Compound Name3-(methoxymethoxy)-3-methylbut-1-yne;2-methyl-3-[(2-methylpropan-2-yl)oxymethoxy]prop-1-ene;(E)-1-[(2-methylpropan-2-yl)oxymethoxy]pent-2-ene;2-[(2-methylpropan-2-yl)oxy]oxane;2-methyl-2-(prop-2-enoxymethoxy)propane;2-methyl-2-(propoxymethoxy)propane;2-methyl-2-(prop-2-ynoxymethoxy)propane
PubChem CID158143083
Molecular FormulaC59H116O14
Molecular Weight1049.56 g/mol
Exact Mass1048.84
IUPAC Name3-(methoxymethoxy)-3-methylbut-1-yne;2-methyl-3-[(2-methylpropan-2-yl)oxymethoxy]prop-1-ene;(E)-1-[(2-methylpropan-2-yl)oxymethoxy]pent-2-ene;2-[(2-methylpropan-2-yl)oxy]oxane;2-methyl-2-(prop-2-enoxymethoxy)propane;2-methyl-2-(propoxymethoxy)propane;2-methyl-2-(prop-2-ynoxymethoxy)propane
SMILESC#CC(C)(C)OCOC.C#CCOCOC(C)(C)C.C=C(C)COCOC(C)(C)C.C=CCOCOC(C)(C)C.CC(C)(C)OC1CCCCO1.CC/C=C/COCOC(C)(C)C.CCCOCOC(C)(C)C
InChIInChI=1S/C10H20O2.2C9H18O2.C8H18O2.C8H16O2.C8H14O2.C7H12O2/c1-5-6-7-8-11-9-12-10(2,3)4;1-9(2,3)11-8-6-4-5-7-10-8;1-8(2)6-10-7-11-9(3,4)5;3*1-5-6-9-7-10-8(2,3)4;1-5-7(2,3)9-6-8-4/h6-7H,5,8-9H2,1-4H3;8H,4-7H2,1-3H3;1,6-7H2,2-5H3;5-7H2,1-4H3;5H,1,6-7H2,2-4H3;1H,6-7H2,2-4H3;1H,6H2,2-4H3/b7-6+;;;;;;
InChIKeyFUEKADLCVYGSTK-ODQXZWMDSA-N
XLogP14.00
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001049.56
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(methoxymethoxy)-3-methylbut-1-yne;2-methyl-3-[(2-methylpropan-2-yl)oxymethoxy]prop-1-ene;(E)-1-[(2-methylpropan-2-yl)oxymethoxy]pent-2-ene;2-[(2-methylpropan-2-yl)oxy]oxane;2-methyl-2-(prop-2-enoxymethoxy)propane;2-methyl-2-(propoxymethoxy)propane;2-methyl-2-(prop-2-ynoxymethoxy)propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)-3-methylbut-1-yne;2-methyl-3-[(2-methylpropan-2-yl)oxymethoxy]prop-1-ene;(E)-1-[(2-methylpropan-2-yl)oxymethoxy]pent-2-ene;2-[(2-methylpropan-2-yl)oxy]oxane;2-methyl-2-(prop-2-enoxymethoxy)propane;2-methyl-2-(propoxymethoxy)propane;2-methyl-2-(prop-2-ynoxymethoxy)propane?
The IUPAC name of 3-(methoxymethoxy)-3-methylbut-1-yne;2-methyl-3-[(2-methylpropan-2-yl)oxymethoxy]prop-1-ene;(E)-1-[(2-methylpropan-2-yl)oxymethoxy]pent-2-ene;2-[(2-methylpropan-2-yl)oxy]oxane;2-methyl-2-(prop-2-enoxymethoxy)propane;2-methyl-2-(propoxymethoxy)propane;2-methyl-2-(prop-2-ynoxymethoxy)propane (CID 158143083) is 3-(methoxymethoxy)-3-methylbut-1-yne;2-methyl-3-[(2-methylpropan-2-yl)oxymethoxy]prop-1-ene;(E)-1-[(2-methylpropan-2-yl)oxymethoxy]pent-2-ene;2-[(2-methylpropan-2-yl)oxy]oxane;2-methyl-2-(prop-2-enoxymethoxy)propane;2-methyl-2-(propoxymethoxy)propane;2-methyl-2-(prop-2-ynoxymethoxy)propane.
What is the SMILES notation for 3-(methoxymethoxy)-3-methylbut-1-yne;2-methyl-3-[(2-methylpropan-2-yl)oxymethoxy]prop-1-ene;(E)-1-[(2-methylpropan-2-yl)oxymethoxy]pent-2-ene;2-[(2-methylpropan-2-yl)oxy]oxane;2-methyl-2-(prop-2-enoxymethoxy)propane;2-methyl-2-(propoxymethoxy)propane;2-methyl-2-(prop-2-ynoxymethoxy)propane?
The canonical SMILES for 3-(methoxymethoxy)-3-methylbut-1-yne;2-methyl-3-[(2-methylpropan-2-yl)oxymethoxy]prop-1-ene;(E)-1-[(2-methylpropan-2-yl)oxymethoxy]pent-2-ene;2-[(2-methylpropan-2-yl)oxy]oxane;2-methyl-2-(prop-2-enoxymethoxy)propane;2-methyl-2-(propoxymethoxy)propane;2-methyl-2-(prop-2-ynoxymethoxy)propane is C#CC(C)(C)OCOC.C#CCOCOC(C)(C)C.C=C(C)COCOC(C)(C)C.C=CCOCOC(C)(C)C.CC(C)(C)OC1CCCCO1.CC/C=C/COCOC(C)(C)C.CCCOCOC(C)(C)C.
What is the InChIKey of 3-(methoxymethoxy)-3-methylbut-1-yne;2-methyl-3-[(2-methylpropan-2-yl)oxymethoxy]prop-1-ene;(E)-1-[(2-methylpropan-2-yl)oxymethoxy]pent-2-ene;2-[(2-methylpropan-2-yl)oxy]oxane;2-methyl-2-(prop-2-enoxymethoxy)propane;2-methyl-2-(propoxymethoxy)propane;2-methyl-2-(prop-2-ynoxymethoxy)propane?
The InChIKey is FUEKADLCVYGSTK-ODQXZWMDSA-N. The full InChI is InChI=1S/C10H20O2.2C9H18O2.C8H18O2.C8H16O2.C8H14O2.C7H12O2/c1-5-6-7-8-11-9-12-10(2,3)4;1-9(2,3)11-8-6-4-5-7-10-8;1-8(2)6-10-7-11-9(3,4)5;3*1-5-6-9-7-10-8(2,3)4;1-5-7(2,3)9-6-8-4/h6-7H,5,8-9H2,1-4H3;8H,4-7H2,1-3H3;1,6-7H2,2-5H3;5-7H2,1-4H3;5H,1,6-7H2,2-4H3;1H,6-7H2,2-4H3;1H,6H2,2-4H3/b7-6+;;;;;;.
What are the key properties of 3-(methoxymethoxy)-3-methylbut-1-yne;2-methyl-3-[(2-methylpropan-2-yl)oxymethoxy]prop-1-ene;(E)-1-[(2-methylpropan-2-yl)oxymethoxy]pent-2-ene;2-[(2-methylpropan-2-yl)oxy]oxane;2-methyl-2-(prop-2-enoxymethoxy)propane;2-methyl-2-(propoxymethoxy)propane;2-methyl-2-(prop-2-ynoxymethoxy)propane?
3-(methoxymethoxy)-3-methylbut-1-yne;2-methyl-3-[(2-methylpropan-2-yl)oxymethoxy]prop-1-ene;(E)-1-[(2-methylpropan-2-yl)oxymethoxy]pent-2-ene;2-[(2-methylpropan-2-yl)oxy]oxane;2-methyl-2-(prop-2-enoxymethoxy)propane;2-methyl-2-(propoxymethoxy)propane;2-methyl-2-(prop-2-ynoxymethoxy)propane has a molecular weight of 1049.56 g/mol, XLogP of 14.00, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-3-methylbut-1-yne;2-methyl-3-[(2-methylpropan-2-yl)oxymethoxy]prop-1-ene;(E)-1-[(2-methylpropan-2-yl)oxymethoxy]pent-2-ene;2-[(2-methylpropan-2-yl)oxy]oxane;2-methyl-2-(prop-2-enoxymethoxy)propane;2-methyl-2-(propoxymethoxy)propane;2-methyl-2-(prop-2-ynoxymethoxy)propane is sourced from PubChem (CID 158143083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).