2-(1-butoxypropan-2-yl)oxetane

C10H20O2 — CID 174753174

IUPAC2-(1-butoxypropan-2-yl)oxetane
SMILESCCCCOCC(C)C1CCO1
InChIInChI=1S/C10H20O2/c1-3-4-6-11-8-9(2)10-5-7-12-10/h9-10H,3-8H2,1-2H3
InChIKeyRDNSITDGJLYLFA-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds6

About 2-(1-butoxypropan-2-yl)oxetane

2-(1-butoxypropan-2-yl)oxetane (PubChem CID 174753174) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(1-butoxypropan-2-yl)oxetane.

Molecular Properties

Compound Name2-(1-butoxypropan-2-yl)oxetane
PubChem CID174753174
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-(1-butoxypropan-2-yl)oxetane
SMILESCCCCOCC(C)C1CCO1
InChIInChI=1S/C10H20O2/c1-3-4-6-11-8-9(2)10-5-7-12-10/h9-10H,3-8H2,1-2H3
InChIKeyRDNSITDGJLYLFA-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1-butoxypropan-2-yl)oxetane?
The IUPAC name of 2-(1-butoxypropan-2-yl)oxetane (CID 174753174) is 2-(1-butoxypropan-2-yl)oxetane.
What is the SMILES notation for 2-(1-butoxypropan-2-yl)oxetane?
The canonical SMILES for 2-(1-butoxypropan-2-yl)oxetane is CCCCOCC(C)C1CCO1.
What is the InChIKey of 2-(1-butoxypropan-2-yl)oxetane?
The InChIKey is RDNSITDGJLYLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-4-6-11-8-9(2)10-5-7-12-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(1-butoxypropan-2-yl)oxetane?
2-(1-butoxypropan-2-yl)oxetane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butoxypropan-2-yl)oxetane is sourced from PubChem (CID 174753174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).