3-propyl-3-[(3-propyloxetan-3-yl)methoxymethyl]oxetane

C14H26O3 — CID 67457111

IUPAC3-propyl-3-[(3-propyloxetan-3-yl)methoxymethyl]oxetane
SMILESCCCC1(COCC2(CCC)COC2)COC1
InChIInChI=1S/C14H26O3/c1-3-5-13(7-15-8-13)11-17-12-14(6-4-2)9-16-10-14/h3-12H2,1-2H3
InChIKeyIIGKGANTKQPZMY-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.64
Rot. Bonds8

About 3-propyl-3-[(3-propyloxetan-3-yl)methoxymethyl]oxetane

3-propyl-3-[(3-propyloxetan-3-yl)methoxymethyl]oxetane (PubChem CID 67457111) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-propyl-3-[(3-propyloxetan-3-yl)methoxymethyl]oxetane.

Molecular Properties

Compound Name3-propyl-3-[(3-propyloxetan-3-yl)methoxymethyl]oxetane
PubChem CID67457111
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name3-propyl-3-[(3-propyloxetan-3-yl)methoxymethyl]oxetane
SMILESCCCC1(COCC2(CCC)COC2)COC1
InChIInChI=1S/C14H26O3/c1-3-5-13(7-15-8-13)11-17-12-14(6-4-2)9-16-10-14/h3-12H2,1-2H3
InChIKeyIIGKGANTKQPZMY-UHFFFAOYSA-N
XLogP2.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-3-[(3-propyloxetan-3-yl)methoxymethyl]oxetane?
The IUPAC name of 3-propyl-3-[(3-propyloxetan-3-yl)methoxymethyl]oxetane (CID 67457111) is 3-propyl-3-[(3-propyloxetan-3-yl)methoxymethyl]oxetane.
What is the SMILES notation for 3-propyl-3-[(3-propyloxetan-3-yl)methoxymethyl]oxetane?
The canonical SMILES for 3-propyl-3-[(3-propyloxetan-3-yl)methoxymethyl]oxetane is CCCC1(COCC2(CCC)COC2)COC1.
What is the InChIKey of 3-propyl-3-[(3-propyloxetan-3-yl)methoxymethyl]oxetane?
The InChIKey is IIGKGANTKQPZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-5-13(7-15-8-13)11-17-12-14(6-4-2)9-16-10-14/h3-12H2,1-2H3.
What are the key properties of 3-propyl-3-[(3-propyloxetan-3-yl)methoxymethyl]oxetane?
3-propyl-3-[(3-propyloxetan-3-yl)methoxymethyl]oxetane has a molecular weight of 242.36 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-3-[(3-propyloxetan-3-yl)methoxymethyl]oxetane is sourced from PubChem (CID 67457111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).