2,2-dimethyl-4-[[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxymethyl]oxetane

C15H30O3 — CID 123751288

IUPAC2,2-dimethyl-4-[[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxymethyl]oxetane
SMILESCC(C)(C)OCCC(C)(C)OCC1CC(C)(C)O1
InChIInChI=1S/C15H30O3/c1-13(2,3)16-9-8-14(4,5)17-11-12-10-15(6,7)18-12/h12H,8-11H2,1-7H3
InChIKeySFURSVXEQQUJNO-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.55
Rot. Bonds6

About 2,2-dimethyl-4-[[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxymethyl]oxetane

2,2-dimethyl-4-[[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxymethyl]oxetane (PubChem CID 123751288) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 2,2-dimethyl-4-[[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxymethyl]oxetane.

Molecular Properties

Compound Name2,2-dimethyl-4-[[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxymethyl]oxetane
PubChem CID123751288
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name2,2-dimethyl-4-[[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxymethyl]oxetane
SMILESCC(C)(C)OCCC(C)(C)OCC1CC(C)(C)O1
InChIInChI=1S/C15H30O3/c1-13(2,3)16-9-8-14(4,5)17-11-12-10-15(6,7)18-12/h12H,8-11H2,1-7H3
InChIKeySFURSVXEQQUJNO-UHFFFAOYSA-N
XLogP3.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-4-[[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxymethyl]oxetane with MolForge

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Related Compounds

(3-Ethyl-3-glycidyloxymethyl)oxetane
CID 153984103
2,3,4,5-Tetramethoxy-2,5-dimethylhexane
CID 20759498
2,2-Bis(ethoxymethyl)oxetane
CID 22486032
1-(2,3-Dimethoxypropoxy)-2-methylpentane
CID 53876001
1-Butoxy-4-methyl-4-propan-2-yloxypentane
CID 54522845
2-(2-Methyloxiran-2-yl)oxetane
CID 57004451
1,2-Diethoxy-4-(2-methoxyethoxy)-4-methylpentane
CID 57228754
3-Ethyl-3-(4-methoxybutoxy)oxetane
CID 57866585
2-(4-Methoxybutoxymethyl)-2-methyloxetane
CID 58383014
3-[2-(1-Methoxypropan-2-yloxy)ethyl]-3-methyldioxetane
CID 58932324
2-(1,2-Diethoxyethyl)-2-(ethoxymethyl)oxetane
CID 59017146
CID 59896075
CID 59896075

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxymethyl]oxetane?
The IUPAC name of 2,2-dimethyl-4-[[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxymethyl]oxetane (CID 123751288) is 2,2-dimethyl-4-[[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxymethyl]oxetane.
What is the SMILES notation for 2,2-dimethyl-4-[[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxymethyl]oxetane?
The canonical SMILES for 2,2-dimethyl-4-[[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxymethyl]oxetane is CC(C)(C)OCCC(C)(C)OCC1CC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-4-[[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxymethyl]oxetane?
The InChIKey is SFURSVXEQQUJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-13(2,3)16-9-8-14(4,5)17-11-12-10-15(6,7)18-12/h12H,8-11H2,1-7H3.
What are the key properties of 2,2-dimethyl-4-[[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxymethyl]oxetane?
2,2-dimethyl-4-[[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxymethyl]oxetane has a molecular weight of 258.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxymethyl]oxetane is sourced from PubChem (CID 123751288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).