2-[2-[3-methyl-3-(oxiran-2-ylmethoxy)butoxy]propan-2-yl]oxetane

C14H26O4 — CID 123452518

IUPAC2-[2-[3-methyl-3-(oxiran-2-ylmethoxy)butoxy]propan-2-yl]oxetane
SMILESCC(C)(CCOC(C)(C)C1CCO1)OCC1CO1
InChIInChI=1S/C14H26O4/c1-13(2,18-10-11-9-16-11)6-8-17-14(3,4)12-5-7-15-12/h11-12H,5-10H2,1-4H3
InChIKeyAQROUTDPFKUMMN-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.15
Rot. Bonds8

About 2-[2-[3-methyl-3-(oxiran-2-ylmethoxy)butoxy]propan-2-yl]oxetane

2-[2-[3-methyl-3-(oxiran-2-ylmethoxy)butoxy]propan-2-yl]oxetane (PubChem CID 123452518) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[2-[3-methyl-3-(oxiran-2-ylmethoxy)butoxy]propan-2-yl]oxetane.

Molecular Properties

Compound Name2-[2-[3-methyl-3-(oxiran-2-ylmethoxy)butoxy]propan-2-yl]oxetane
PubChem CID123452518
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-[2-[3-methyl-3-(oxiran-2-ylmethoxy)butoxy]propan-2-yl]oxetane
SMILESCC(C)(CCOC(C)(C)C1CCO1)OCC1CO1
InChIInChI=1S/C14H26O4/c1-13(2,18-10-11-9-16-11)6-8-17-14(3,4)12-5-7-15-12/h11-12H,5-10H2,1-4H3
InChIKeyAQROUTDPFKUMMN-UHFFFAOYSA-N
XLogP2.15
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(3-Ethyl-3-glycidyloxymethyl)oxetane
CID 153984103
Oxirane, ((1,1-dimethylbutoxy)methyl)
CID 142603
2-[[4-Methyl-5-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
CID 11970724
2-(2-Methylpentan-2-yloxymethyl)oxirane
CID 21122402
2-(2-Methyloxiran-2-yl)oxetane
CID 57004451
1,2-Diethoxy-4-(2-methoxyethoxy)-4-methylpentane
CID 57228754
2-(1,2-Diethoxyethyl)-2-(ethoxymethyl)oxetane
CID 59017146
2-(2-Pentoxypropan-2-yl)oxirane
CID 88013823
2-[2-Methyl-2-[4-methyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxypropyl]oxirane
CID 88571612
2-[2-Methyl-2-[3-methyl-3-(oxiran-2-ylmethoxy)butoxy]propyl]oxirane
CID 88883209
2-[[4-(2-Methoxyethoxy)-4-methylpentan-2-yl]oxymethyl]oxirane
CID 90774337
2-[2-Methyl-2-[2-(oxiran-2-ylmethoxy)propoxy]propyl]oxirane
CID 117705516

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-methyl-3-(oxiran-2-ylmethoxy)butoxy]propan-2-yl]oxetane?
The IUPAC name of 2-[2-[3-methyl-3-(oxiran-2-ylmethoxy)butoxy]propan-2-yl]oxetane (CID 123452518) is 2-[2-[3-methyl-3-(oxiran-2-ylmethoxy)butoxy]propan-2-yl]oxetane.
What is the SMILES notation for 2-[2-[3-methyl-3-(oxiran-2-ylmethoxy)butoxy]propan-2-yl]oxetane?
The canonical SMILES for 2-[2-[3-methyl-3-(oxiran-2-ylmethoxy)butoxy]propan-2-yl]oxetane is CC(C)(CCOC(C)(C)C1CCO1)OCC1CO1.
What is the InChIKey of 2-[2-[3-methyl-3-(oxiran-2-ylmethoxy)butoxy]propan-2-yl]oxetane?
The InChIKey is AQROUTDPFKUMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-13(2,18-10-11-9-16-11)6-8-17-14(3,4)12-5-7-15-12/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-[2-[3-methyl-3-(oxiran-2-ylmethoxy)butoxy]propan-2-yl]oxetane?
2-[2-[3-methyl-3-(oxiran-2-ylmethoxy)butoxy]propan-2-yl]oxetane has a molecular weight of 258.36 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-methyl-3-(oxiran-2-ylmethoxy)butoxy]propan-2-yl]oxetane is sourced from PubChem (CID 123452518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).