2-butyl-3,3-dimethyloxetane

C9H18O — CID 135050726

IUPAC2-butyl-3,3-dimethyloxetane
SMILESCCCCC1OCC1(C)C
InChIInChI=1S/C9H18O/c1-4-5-6-8-9(2,3)7-10-8/h8H,4-7H2,1-3H3
InChIKeyAMFYTLQUFOSTLL-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.60
Rot. Bonds3

About 2-butyl-3,3-dimethyloxetane

2-butyl-3,3-dimethyloxetane (PubChem CID 135050726) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-butyl-3,3-dimethyloxetane.

Molecular Properties

Compound Name2-butyl-3,3-dimethyloxetane
PubChem CID135050726
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-butyl-3,3-dimethyloxetane
SMILESCCCCC1OCC1(C)C
InChIInChI=1S/C9H18O/c1-4-5-6-8-9(2,3)7-10-8/h8H,4-7H2,1-3H3
InChIKeyAMFYTLQUFOSTLL-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3,3-dimethyloxetane?
The IUPAC name of 2-butyl-3,3-dimethyloxetane (CID 135050726) is 2-butyl-3,3-dimethyloxetane.
What is the SMILES notation for 2-butyl-3,3-dimethyloxetane?
The canonical SMILES for 2-butyl-3,3-dimethyloxetane is CCCCC1OCC1(C)C.
What is the InChIKey of 2-butyl-3,3-dimethyloxetane?
The InChIKey is AMFYTLQUFOSTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-4-5-6-8-9(2,3)7-10-8/h8H,4-7H2,1-3H3.
What are the key properties of 2-butyl-3,3-dimethyloxetane?
2-butyl-3,3-dimethyloxetane has a molecular weight of 142.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3,3-dimethyloxetane is sourced from PubChem (CID 135050726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).