2,3-dimethylbutane;2-(2-methylpropyl)-1,4-dioxane;propan-2-ylcyclobutane;2-propan-2-yl-1,4-dioxane;4-propan-2-yloxane;3-propan-2-yloxetane;2,2,3-trimethylbutane

C49H102O6 — CID 165074088

IUPAC2,3-dimethylbutane;2-(2-methylpropyl)-1,4-dioxane;propan-2-ylcyclobutane;2-propan-2-yl-1,4-dioxane;4-propan-2-yloxane;3-propan-2-yloxetane;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CC(C)C(C)C.CC(C)C1CCC1.CC(C)C1CCOCC1.CC(C)C1COC1.CC(C)C1COCCO1.CC(C)CC1COCCO1
InChIInChI=1S/C8H16O2.C8H16O.C7H14O2.C7H14.C7H16.C6H12O.C6H14/c1-7(2)5-8-6-9-3-4-10-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-7;1-6(2)7(3,4)5;1-5(2)6-3-7-4-6;1-5(2)6(3)4/h7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;6H,1-5H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3
InChIKeyTZYZAQOQGBFPIP-UHFFFAOYSA-N
MW787.35 g/mol
LogP13.29
Rot. Bonds7

About 2,3-dimethylbutane;2-(2-methylpropyl)-1,4-dioxane;propan-2-ylcyclobutane;2-propan-2-yl-1,4-dioxane;4-propan-2-yloxane;3-propan-2-yloxetane;2,2,3-trimethylbutane

2,3-dimethylbutane;2-(2-methylpropyl)-1,4-dioxane;propan-2-ylcyclobutane;2-propan-2-yl-1,4-dioxane;4-propan-2-yloxane;3-propan-2-yloxetane;2,2,3-trimethylbutane (PubChem CID 165074088) has the molecular formula C49H102O6 and a molecular weight of 787.35 g/mol. Its IUPAC name is 2,3-dimethylbutane;2-(2-methylpropyl)-1,4-dioxane;propan-2-ylcyclobutane;2-propan-2-yl-1,4-dioxane;4-propan-2-yloxane;3-propan-2-yloxetane;2,2,3-trimethylbutane.

Molecular Properties

Compound Name2,3-dimethylbutane;2-(2-methylpropyl)-1,4-dioxane;propan-2-ylcyclobutane;2-propan-2-yl-1,4-dioxane;4-propan-2-yloxane;3-propan-2-yloxetane;2,2,3-trimethylbutane
PubChem CID165074088
Molecular FormulaC49H102O6
Molecular Weight787.35 g/mol
Exact Mass786.77
IUPAC Name2,3-dimethylbutane;2-(2-methylpropyl)-1,4-dioxane;propan-2-ylcyclobutane;2-propan-2-yl-1,4-dioxane;4-propan-2-yloxane;3-propan-2-yloxetane;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CC(C)C(C)C.CC(C)C1CCC1.CC(C)C1CCOCC1.CC(C)C1COC1.CC(C)C1COCCO1.CC(C)CC1COCCO1
InChIInChI=1S/C8H16O2.C8H16O.C7H14O2.C7H14.C7H16.C6H12O.C6H14/c1-7(2)5-8-6-9-3-4-10-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-7;1-6(2)7(3,4)5;1-5(2)6-3-7-4-6;1-5(2)6(3)4/h7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;6H,1-5H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3
InChIKeyTZYZAQOQGBFPIP-UHFFFAOYSA-N
XLogP13.29
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.35
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3-dimethylbutane;2-(2-methylpropyl)-1,4-dioxane;propan-2-ylcyclobutane;2-propan-2-yl-1,4-dioxane;4-propan-2-yloxane;3-propan-2-yloxetane;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

propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane
CID 167674182
2-(2,3-dimethylbutyl)-1,4-dioxane
CID 178009614
1,4-dioxan-2-yl(oxolan-3-yl)methanol
CID 65350803
2-cyclobutyl-1-(1,4-dioxan-2-yl)ethanol
CID 65457188
1-(1,4-dioxan-2-yl)-2-(oxan-4-yl)ethanol
CID 65351024
1-(1,4-dioxan-2-yl)propan-2-amine
CID 54484153
1-[(2S)-1,4-dioxan-2-yl]propan-2-amine
CID 89159983
3-tert-butyloxolane;ethane;propan-2-ylcyclobutane
CID 160519713
2-methylpropylcyclobutane;4-(2-methylpropyl)oxane
CID 157070530
1,1-di(propan-2-yl)cyclobutane;propan-2-ylcyclobutane;3-propan-2-yloxolane
CID 163492322
2-cyclopropyl-1-(1,4-dioxan-2-yl)ethanol
CID 65350652
ethane;3-propan-2-yloxane
CID 143985480

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;2-(2-methylpropyl)-1,4-dioxane;propan-2-ylcyclobutane;2-propan-2-yl-1,4-dioxane;4-propan-2-yloxane;3-propan-2-yloxetane;2,2,3-trimethylbutane?
The IUPAC name of 2,3-dimethylbutane;2-(2-methylpropyl)-1,4-dioxane;propan-2-ylcyclobutane;2-propan-2-yl-1,4-dioxane;4-propan-2-yloxane;3-propan-2-yloxetane;2,2,3-trimethylbutane (CID 165074088) is 2,3-dimethylbutane;2-(2-methylpropyl)-1,4-dioxane;propan-2-ylcyclobutane;2-propan-2-yl-1,4-dioxane;4-propan-2-yloxane;3-propan-2-yloxetane;2,2,3-trimethylbutane.
What is the SMILES notation for 2,3-dimethylbutane;2-(2-methylpropyl)-1,4-dioxane;propan-2-ylcyclobutane;2-propan-2-yl-1,4-dioxane;4-propan-2-yloxane;3-propan-2-yloxetane;2,2,3-trimethylbutane?
The canonical SMILES for 2,3-dimethylbutane;2-(2-methylpropyl)-1,4-dioxane;propan-2-ylcyclobutane;2-propan-2-yl-1,4-dioxane;4-propan-2-yloxane;3-propan-2-yloxetane;2,2,3-trimethylbutane is CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)C1CCC1.CC(C)C1CCOCC1.CC(C)C1COC1.CC(C)C1COCCO1.CC(C)CC1COCCO1.
What is the InChIKey of 2,3-dimethylbutane;2-(2-methylpropyl)-1,4-dioxane;propan-2-ylcyclobutane;2-propan-2-yl-1,4-dioxane;4-propan-2-yloxane;3-propan-2-yloxetane;2,2,3-trimethylbutane?
The InChIKey is TZYZAQOQGBFPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C8H16O.C7H14O2.C7H14.C7H16.C6H12O.C6H14/c1-7(2)5-8-6-9-3-4-10-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-7;1-6(2)7(3,4)5;1-5(2)6-3-7-4-6;1-5(2)6(3)4/h7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6-7H,3-5H2,1-2H3;6H,1-5H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3.
What are the key properties of 2,3-dimethylbutane;2-(2-methylpropyl)-1,4-dioxane;propan-2-ylcyclobutane;2-propan-2-yl-1,4-dioxane;4-propan-2-yloxane;3-propan-2-yloxetane;2,2,3-trimethylbutane?
2,3-dimethylbutane;2-(2-methylpropyl)-1,4-dioxane;propan-2-ylcyclobutane;2-propan-2-yl-1,4-dioxane;4-propan-2-yloxane;3-propan-2-yloxetane;2,2,3-trimethylbutane has a molecular weight of 787.35 g/mol, XLogP of 13.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;2-(2-methylpropyl)-1,4-dioxane;propan-2-ylcyclobutane;2-propan-2-yl-1,4-dioxane;4-propan-2-yloxane;3-propan-2-yloxetane;2,2,3-trimethylbutane is sourced from PubChem (CID 165074088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).