2,3-dimethyl-2-propyloxetane

C8H16O — CID 89191195

IUPAC2,3-dimethyl-2-propyloxetane
SMILESCCCC1(C)OCC1C
InChIInChI=1S/C8H16O/c1-4-5-8(3)7(2)6-9-8/h7H,4-6H2,1-3H3
InChIKeyIFFYWIQLWPZQAJ-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.21
Rot. Bonds2

About 2,3-dimethyl-2-propyloxetane

2,3-dimethyl-2-propyloxetane (PubChem CID 89191195) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 2,3-dimethyl-2-propyloxetane.

Molecular Properties

Compound Name2,3-dimethyl-2-propyloxetane
PubChem CID89191195
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name2,3-dimethyl-2-propyloxetane
SMILESCCCC1(C)OCC1C
InChIInChI=1S/C8H16O/c1-4-5-8(3)7(2)6-9-8/h7H,4-6H2,1-3H3
InChIKeyIFFYWIQLWPZQAJ-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2-methyl-2-propyloxirane
CID 141287947
[(2S,3S)-3-methyl-3-propyloxiran-2-yl]methanol
CID 130892033
CID 174144115
CID 174144115
2,2-dimethyl-5,5-dipropyl-1,3-dioxane
CID 15153766
(2,3-dimethyloxetan-2-yl)methyl prop-2-enoate
CID 174904859
1-ethyl-2,5-dimethyl-1-propylcyclopentane
CID 145269100
(2S)-2,4-dimethyl-4-propyloxolane
CID 135257246
(3R,4R)-4-(hydroxymethyl)-2-methyl-2-propyloxolane-3,4-diol
CID 154968315
1,1,2,3-tetramethyl-2-propylcyclopropane
CID 90999525
2-methyl-2-propyl-1,3,6-trioxocane
CID 89306416
1-butyl-2-methyl-1-propylcyclopropane
CID 123815284
(4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane
CID 58254236

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-propyloxetane?
The IUPAC name of 2,3-dimethyl-2-propyloxetane (CID 89191195) is 2,3-dimethyl-2-propyloxetane.
What is the SMILES notation for 2,3-dimethyl-2-propyloxetane?
The canonical SMILES for 2,3-dimethyl-2-propyloxetane is CCCC1(C)OCC1C.
What is the InChIKey of 2,3-dimethyl-2-propyloxetane?
The InChIKey is IFFYWIQLWPZQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-4-5-8(3)7(2)6-9-8/h7H,4-6H2,1-3H3.
What are the key properties of 2,3-dimethyl-2-propyloxetane?
2,3-dimethyl-2-propyloxetane has a molecular weight of 128.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-propyloxetane is sourced from PubChem (CID 89191195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).