1-ethoxy-2-methylpropane;2-ethoxypropane;1-methoxy-2-methylpropane;2-methoxypropane;2-methylbutane;2-methylpropane;2,2,3-trimethylbutane

C36H86O4 — CID 159899257

IUPAC1-ethoxy-2-methylpropane;2-ethoxypropane;1-methoxy-2-methylpropane;2-methoxypropane;2-methylbutane;2-methylpropane;2,2,3-trimethylbutane
SMILESCC(C)C.CC(C)C(C)(C)C.CCC(C)C.CCOC(C)C.CCOCC(C)C.COC(C)C.COCC(C)C
InChIInChI=1S/C7H16.C6H14O.2C5H12O.C5H12.C4H10O.C4H10/c1-6(2)7(3,4)5;1-4-7-5-6(2)3;1-5(2)4-6-3;1-4-6-5(2)3;1-4-5(2)3;1-4(2)5-3;1-4(2)3/h6H,1-5H3;6H,4-5H2,1-3H3;2*5H,4H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3;4H,1-3H3
InChIKeyNVSZAWSWVWOWNG-UHFFFAOYSA-N
MW583.08 g/mol
LogP11.84
Rot. Bonds9

About 1-ethoxy-2-methylpropane;2-ethoxypropane;1-methoxy-2-methylpropane;2-methoxypropane;2-methylbutane;2-methylpropane;2,2,3-trimethylbutane

1-ethoxy-2-methylpropane;2-ethoxypropane;1-methoxy-2-methylpropane;2-methoxypropane;2-methylbutane;2-methylpropane;2,2,3-trimethylbutane (PubChem CID 159899257) has the molecular formula C36H86O4 and a molecular weight of 583.08 g/mol. Its IUPAC name is 1-ethoxy-2-methylpropane;2-ethoxypropane;1-methoxy-2-methylpropane;2-methoxypropane;2-methylbutane;2-methylpropane;2,2,3-trimethylbutane.

Molecular Properties

Compound Name1-ethoxy-2-methylpropane;2-ethoxypropane;1-methoxy-2-methylpropane;2-methoxypropane;2-methylbutane;2-methylpropane;2,2,3-trimethylbutane
PubChem CID159899257
Molecular FormulaC36H86O4
Molecular Weight583.08 g/mol
Exact Mass582.65
IUPAC Name1-ethoxy-2-methylpropane;2-ethoxypropane;1-methoxy-2-methylpropane;2-methoxypropane;2-methylbutane;2-methylpropane;2,2,3-trimethylbutane
SMILESCC(C)C.CC(C)C(C)(C)C.CCC(C)C.CCOC(C)C.CCOCC(C)C.COC(C)C.COCC(C)C
InChIInChI=1S/C7H16.C6H14O.2C5H12O.C5H12.C4H10O.C4H10/c1-6(2)7(3,4)5;1-4-7-5-6(2)3;1-5(2)4-6-3;1-4-6-5(2)3;1-4-5(2)3;1-4(2)5-3;1-4(2)3/h6H,1-5H3;6H,4-5H2,1-3H3;2*5H,4H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3;4H,1-3H3
InChIKeyNVSZAWSWVWOWNG-UHFFFAOYSA-N
XLogP11.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.08
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethoxy-2-methylpropane;2-ethoxypropane;1-methoxy-2-methylpropane;2-methoxypropane;2-methylbutane;2-methylpropane;2,2,3-trimethylbutane with MolForge

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

Launch Full Analysis

Related Compounds

1-ethoxy-2-methylpropane;1-propoxypropane
CID 174535854
2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane
CID 160755411
2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane
CID 162031327
2-ethoxypropane;zinc
CID 174321747
butane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane;2-methylbutane
CID 157217369
(2R)-1,2-diethoxypropane
CID 92973991
2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;2-fluoro-4-methylpentane;1-methoxy-2-methylpropane;2-methylbutane
CID 159764170
4-(ethoxymethyl)-2-methylhexane
CID 157265485
methane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane
CID 158287890
1-ethoxy-2-(2-ethoxypropoxy)propane;1-ethoxy-2-(2-methoxypropoxy)propane
CID 159210596
butane;1,1-difluoro-2-methylpropane;1,1-dimethylcyclopropane;1-fluoro-2-methylpropane;1-methoxy-2-methylpropane;2-methylbutane;2-methylpropane;propane;1,1,1-trifluoro-2-methylpropane
CID 158456709
1-methoxybutane;methoxyethane;1-methoxyhexane;methoxymethane;1-methoxy-2-methylpropane;1-methoxypentane;1-methoxypropane;2-methoxypropane
CID 161408985

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-methylpropane;2-ethoxypropane;1-methoxy-2-methylpropane;2-methoxypropane;2-methylbutane;2-methylpropane;2,2,3-trimethylbutane?
The IUPAC name of 1-ethoxy-2-methylpropane;2-ethoxypropane;1-methoxy-2-methylpropane;2-methoxypropane;2-methylbutane;2-methylpropane;2,2,3-trimethylbutane (CID 159899257) is 1-ethoxy-2-methylpropane;2-ethoxypropane;1-methoxy-2-methylpropane;2-methoxypropane;2-methylbutane;2-methylpropane;2,2,3-trimethylbutane.
What is the SMILES notation for 1-ethoxy-2-methylpropane;2-ethoxypropane;1-methoxy-2-methylpropane;2-methoxypropane;2-methylbutane;2-methylpropane;2,2,3-trimethylbutane?
The canonical SMILES for 1-ethoxy-2-methylpropane;2-ethoxypropane;1-methoxy-2-methylpropane;2-methoxypropane;2-methylbutane;2-methylpropane;2,2,3-trimethylbutane is CC(C)C.CC(C)C(C)(C)C.CCC(C)C.CCOC(C)C.CCOCC(C)C.COC(C)C.COCC(C)C.
What is the InChIKey of 1-ethoxy-2-methylpropane;2-ethoxypropane;1-methoxy-2-methylpropane;2-methoxypropane;2-methylbutane;2-methylpropane;2,2,3-trimethylbutane?
The InChIKey is NVSZAWSWVWOWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C6H14O.2C5H12O.C5H12.C4H10O.C4H10/c1-6(2)7(3,4)5;1-4-7-5-6(2)3;1-5(2)4-6-3;1-4-6-5(2)3;1-4-5(2)3;1-4(2)5-3;1-4(2)3/h6H,1-5H3;6H,4-5H2,1-3H3;2*5H,4H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3;4H,1-3H3.
What are the key properties of 1-ethoxy-2-methylpropane;2-ethoxypropane;1-methoxy-2-methylpropane;2-methoxypropane;2-methylbutane;2-methylpropane;2,2,3-trimethylbutane?
1-ethoxy-2-methylpropane;2-ethoxypropane;1-methoxy-2-methylpropane;2-methoxypropane;2-methylbutane;2-methylpropane;2,2,3-trimethylbutane has a molecular weight of 583.08 g/mol, XLogP of 11.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methylpropane;2-ethoxypropane;1-methoxy-2-methylpropane;2-methoxypropane;2-methylbutane;2-methylpropane;2,2,3-trimethylbutane is sourced from PubChem (CID 159899257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).