3-propan-2-yl-3-propyloxetane

C9H18O — CID 57467570

IUPAC3-propan-2-yl-3-propyloxetane
SMILESCCCC1(C(C)C)COC1
InChIInChI=1S/C9H18O/c1-4-5-9(8(2)3)6-10-7-9/h8H,4-7H2,1-3H3
InChIKeyCCZWWRDEGIZCKT-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds3

About 3-propan-2-yl-3-propyloxetane

3-propan-2-yl-3-propyloxetane (PubChem CID 57467570) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3-propan-2-yl-3-propyloxetane.

Molecular Properties

Compound Name3-propan-2-yl-3-propyloxetane
PubChem CID57467570
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3-propan-2-yl-3-propyloxetane
SMILESCCCC1(C(C)C)COC1
InChIInChI=1S/C9H18O/c1-4-5-9(8(2)3)6-10-7-9/h8H,4-7H2,1-3H3
InChIKeyCCZWWRDEGIZCKT-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3-propyloxetane?
The IUPAC name of 3-propan-2-yl-3-propyloxetane (CID 57467570) is 3-propan-2-yl-3-propyloxetane.
What is the SMILES notation for 3-propan-2-yl-3-propyloxetane?
The canonical SMILES for 3-propan-2-yl-3-propyloxetane is CCCC1(C(C)C)COC1.
What is the InChIKey of 3-propan-2-yl-3-propyloxetane?
The InChIKey is CCZWWRDEGIZCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-4-5-9(8(2)3)6-10-7-9/h8H,4-7H2,1-3H3.
What are the key properties of 3-propan-2-yl-3-propyloxetane?
3-propan-2-yl-3-propyloxetane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3-propyloxetane is sourced from PubChem (CID 57467570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).