2-methyl-4-propyloxetane

C7H14O — CID 534439

IUPAC2-methyl-4-propyloxetane
SMILESCCCC1CC(C)O1
InChIInChI=1S/C7H14O/c1-3-4-7-5-6(2)8-7/h6-7H,3-5H2,1-2H3
InChIKeyJTCAVNLRRPQGIO-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.96
Rot. Bonds2

About 2-methyl-4-propyloxetane

2-methyl-4-propyloxetane (PubChem CID 534439) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-methyl-4-propyloxetane.

Molecular Properties

Compound Name2-methyl-4-propyloxetane
PubChem CID534439
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name2-methyl-4-propyloxetane
SMILESCCCC1CC(C)O1
InChIInChI=1S/C7H14O/c1-3-4-7-5-6(2)8-7/h6-7H,3-5H2,1-2H3
InChIKeyJTCAVNLRRPQGIO-UHFFFAOYSA-N
XLogP1.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propyloxetane?
The IUPAC name of 2-methyl-4-propyloxetane (CID 534439) is 2-methyl-4-propyloxetane.
What is the SMILES notation for 2-methyl-4-propyloxetane?
The canonical SMILES for 2-methyl-4-propyloxetane is CCCC1CC(C)O1.
What is the InChIKey of 2-methyl-4-propyloxetane?
The InChIKey is JTCAVNLRRPQGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-3-4-7-5-6(2)8-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-methyl-4-propyloxetane?
2-methyl-4-propyloxetane has a molecular weight of 114.19 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propyloxetane is sourced from PubChem (CID 534439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).