2,3-bis(butoxymethyl)oxetane

C13H26O3 — CID 71037395

IUPAC2,3-bis(butoxymethyl)oxetane
SMILESCCCCOCC1COC1COCCCC
InChIInChI=1S/C13H26O3/c1-3-5-7-14-9-12-10-16-13(12)11-15-8-6-4-2/h12-13H,3-11H2,1-2H3
InChIKeyVOVDUXHVZJWVEU-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.63
Rot. Bonds10

About 2,3-bis(butoxymethyl)oxetane

2,3-bis(butoxymethyl)oxetane (PubChem CID 71037395) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2,3-bis(butoxymethyl)oxetane.

Molecular Properties

Compound Name2,3-bis(butoxymethyl)oxetane
PubChem CID71037395
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2,3-bis(butoxymethyl)oxetane
SMILESCCCCOCC1COC1COCCCC
InChIInChI=1S/C13H26O3/c1-3-5-7-14-9-12-10-16-13(12)11-15-8-6-4-2/h12-13H,3-11H2,1-2H3
InChIKeyVOVDUXHVZJWVEU-UHFFFAOYSA-N
XLogP2.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(butoxymethyl)oxetane?
The IUPAC name of 2,3-bis(butoxymethyl)oxetane (CID 71037395) is 2,3-bis(butoxymethyl)oxetane.
What is the SMILES notation for 2,3-bis(butoxymethyl)oxetane?
The canonical SMILES for 2,3-bis(butoxymethyl)oxetane is CCCCOCC1COC1COCCCC.
What is the InChIKey of 2,3-bis(butoxymethyl)oxetane?
The InChIKey is VOVDUXHVZJWVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-3-5-7-14-9-12-10-16-13(12)11-15-8-6-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 2,3-bis(butoxymethyl)oxetane?
2,3-bis(butoxymethyl)oxetane has a molecular weight of 230.35 g/mol, XLogP of 2.63, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(butoxymethyl)oxetane is sourced from PubChem (CID 71037395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).